UCSF

ZINC32012217

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 1.56 3.37 -38.17 3 3 1 46 210.297 6
Hi High (pH 8-9.5) 1.56 1.96 -4.37 2 3 0 41 209.289 6

Activity (Go SEA)

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