UCSF

ZINC32007489

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) 0.30 1.67 -40.97 3 3 1 50 181.259 4
Hi High (pH 8-9.5) 0.30 0.39 -4.93 2 3 0 45 180.251 4

Activity (Go SEA)

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