UCSF

ZINC20094146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 3.48 7.06 -36.22 2 2 1 20 235.395 7
Mid Mid (pH 6-8) 3.48 9.38 -115.56 3 2 2 21 236.403 7

Activity (Go SEA)

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