UCSF

ZINC32125574

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 2.28 4.9 -41.09 2 4 1 38 279.404 8
Mid Mid (pH 6-8) 2.28 7.31 -88.68 3 4 2 40 280.412 8

Activity (Go SEA)

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