UCSF

ZINC34668217

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 3.34 9.12 -46.81 2 7 1 72 430.912 7
Mid Mid (pH 6-8) 3.34 6.9 -9.26 1 7 0 71 429.904 7

Activity (Go SEA)

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