UCSF

ZINC40924029

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 1.72 3.05 -39.24 3 3 1 48 199.318 2
Hi High (pH 8-9.5) 1.72 3.17 -5.95 2 3 0 46 198.31 2

Activity (Go SEA)

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