UCSF

ZINC61389419

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 31 Yes

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) -5.46 -17.48 -236.52 17 14 3 267 457.501 6
Hi High (pH 8-9.5) -5.46 -18.25 -50.1 15 14 1 264 455.485 6
Hi High (pH 8-9.5) -5.46 -17.94 -140.45 16 14 2 266 456.493 6
Mid Mid (pH 6-8) -5.46 -17.11 -335.69 18 14 4 269 458.509 6

Vendor Notes

Note Type Comments Provided By
therap antibacterial MicroSource World Drugs
Therapy antibiotic SMDC MicroSource

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.