UCSF

ZINC40911089

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) -0.35 7.32 -45.4 2 5 0 79 237.303 4
Mid Mid (pH 6-8) -0.35 6.84 -42.22 1 5 -1 78 236.295 4

Activity (Go SEA)

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