UCSF

ZINC42313887

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 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) 1.20 8.7 -53.25 1 4 1 49 280.779 6
Hi High (pH 8-9.5) 1.20 6.44 -14.05 0 4 0 47 279.771 6

Activity (Go SEA)

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