UCSF

ZINC08143541

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 33 Yes

Popular Name: gentamicin sulfate gentamicin sulfate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1405-41-0 , 1405-41-0, 1403-66-3 [gen , 1405-41-0, 1403-66-3 [gentamicin] , 25876-10-2 , [1405-41-0]

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) -4.21 -7.42 -414.09 16 12 5 214 482.643 7 ↓
Hi High (pH 8-9.5) -4.21 -9.07 -99.13 13 12 2 206 479.619 7 ↓
Hi High (pH 8-9.5) -4.21 -8.66 -180.42 14 12 3 208 480.627 7 ↓
Hi High (pH 8-9.5) -4.21 -9.88 -37.43 12 12 1 204 478.611 7 ↓
Mid Mid (pH 6-8) -4.21 -7.4 -254.71 15 12 4 212 481.635 7 ↓

Vendor Notes

Note Type Comments Provided By
Therapy antibacterial SMDC MicroSource

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50212-7-O Escherichia Coli (cluster #7 Of 7), Other Other 30 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50212 Z50212 Escherichia Coli 20 0.33 Functional ≤ 10μM

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