UCSF

ZINC20128935

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 14 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) 2.20 7.33 -102.72 3 2 2 21 198.354 5
Mid Mid (pH 6-8) 2.20 4.81 -38.09 2 2 1 20 197.346 5

Activity (Go SEA)

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