UCSF

ZINC42457637

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 0.97 1.41 -37.75 3 4 1 54 203.306 7
Hi High (pH 8-9.5) 0.97 -0.86 -8.72 2 4 0 53 202.298 7

Activity (Go SEA)

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