UCSF

ZINC33468598

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 17 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) 1.28 3.3 -40.14 3 4 1 55 240.323 8
Hi High (pH 8-9.5) 1.28 1.8 -7.53 2 4 0 51 239.315 8

Activity (Go SEA)

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