UCSF

ZINC34381573

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 11 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) 0.71 2.42 -46.79 3 2 1 41 149.217 0
Lo Low (pH 4.5-6) 0.71 2.82 -97.19 4 2 2 42 150.225 0

Activity (Go SEA)

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