UCSF

ZINC32932283

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 25 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) 1.61 7.79 -25.52 1 7 0 78 334.383 3
Mid Mid (pH 6-8) 1.61 8.2 -47.05 2 7 1 79 335.391 3

Activity (Go SEA)

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