UCSF

ZINC08101114

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2006 33 Yes

Popular Name: Gentamicin Gentamicin

Find On: PubMed — Wikipedia — Google

CAS Number: 1403-66-3

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 -6.04 -414.27 16 12 5 214 482.643 7 ↓
Hi High (pH 8-9.5) -4.21 -8.1 -31.88 12 12 1 204 478.611 7 ↓
Hi High (pH 8-9.5) -4.21 -7.44 -177.05 14 12 3 208 480.627 7 ↓
Hi High (pH 8-9.5) -4.21 -7.82 -89.23 13 12 2 206 479.619 7 ↓
Mid Mid (pH 6-8) -4.21 -6.39 -276.87 15 12 4 212 481.635 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.26e+01 g/l DrugBank-approved

Activity (Go SEA)

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