UCSF

ZINC32112645

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 2.51 6.52 -118.17 4 3 2 41 264.413 6
Mid Mid (pH 6-8) 2.51 4.4 -44.54 3 3 1 40 263.405 6

Activity (Go SEA)

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