UCSF

ZINC44114156

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 2.49 5.56 -37.48 2 4 1 41 289.399 5
Mid Mid (pH 6-8) 2.49 3.29 -5.89 1 4 0 40 288.391 5

Activity (Go SEA)

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