UCSF

ZINC20047803

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 15 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) 0.02 2.93 -104.09 5 4 2 64 215.341 6
Mid Mid (pH 6-8) 0.02 0.73 -42.78 4 4 1 63 214.333 6
Mid Mid (pH 6-8) 0.02 1.53 -37.61 4 4 1 60 214.333 6

Activity (Go SEA)

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