UCSF

ZINC43404422

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 2.10 6.18 -14.01 1 3 0 57 240.287 0
Mid Mid (pH 6-8) 2.56 4.37 -46.87 0 3 -1 60 239.279 0

Activity (Go SEA)

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