UCSF

ZINC05085265

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 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) 2.66 9.04 -91.24 2 2 2 9 236.403 0
Mid Mid (pH 6-8) 2.66 7 -30.4 1 2 1 8 235.395 0
Mid Mid (pH 6-8) 2.66 7.02 -31.7 1 2 1 8 235.395 0

Activity (Go SEA)

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