UCSF

ZINC32014953

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) 0.74 2.92 -46.51 4 4 1 60 226.275 4
Hi High (pH 8-9.5) 0.74 0.39 -10.71 3 4 0 58 225.267 4

Activity (Go SEA)

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