UCSF

ZINC19637109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 3.02 8.53 -35.18 1 2 1 8 235.395 7
Mid Mid (pH 6-8) 3.02 8.05 -36.6 1 2 1 8 235.395 7
Mid Mid (pH 6-8) 3.02 10.32 -109.4 2 2 2 9 236.403 7

Activity (Go SEA)

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