UCSF

ZINC52981502

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 33 Yes

Popular Name: NETILMICIN SULFATE NETILMICIN SULFATE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 56391-56-1 , 56391-57-2 , [56391-57-2]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.70 -7.08 -278.13 15 12 4 212 479.619 8 ↓
Hi High (pH 8-9.5) -3.70 -9.96 -44.02 12 12 1 201 476.595 8 ↓
Hi High (pH 8-9.5) -3.70 -10.27 -5.97 11 12 0 200 475.587 8 ↓
Hi High (pH 8-9.5) -3.70 -9.11 -41.05 12 12 1 204 476.595 8 ↓
Mid Mid (pH 6-8) -3.70 -7.19 -284.08 15 12 4 212 479.619 8 ↓
Mid Mid (pH 6-8) -3.70 -6.79 -400.51 16 12 5 214 480.627 8 ↓

Vendor Notes

Note Type Comments Provided By
therap antibacterial MicroSource Spectrum
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP03407n; 1 sulfuric acid NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP03407n; SALT: 1 sulfuric acid NIH Clinical Collection via PubChem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )