UCSF

ZINC32778224

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 19 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) 0.89 3.44 -38.68 0 6 -1 92 284.313 7
Mid Mid (pH 6-8) 0.89 3.37 -15.41 1 6 0 90 285.321 7

Activity (Go SEA)

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