UCSF

ZINC44529780

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2010 20 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) 1.65 5.84 -111.41 5 4 2 61 297.83 5
Hi High (pH 8-9.5) 1.65 5.46 -42.29 4 4 1 60 296.822 5

Activity (Go SEA)

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