UCSF

ZINC40894210

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 16 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) 2.47 4.77 -94.95 4 3 2 43 237.734 4
Mid Mid (pH 6-8) 2.47 4.35 -52.21 3 3 1 42 236.726 4

Activity (Go SEA)

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