UCSF

ZINC20310257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 19 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) 1.75 5.45 -37.6 3 4 1 46 270.441 7
Mid Mid (pH 6-8) 1.75 6.67 -102.39 4 4 2 50 271.449 7
Mid Mid (pH 6-8) 1.75 4.46 -39.85 3 4 1 49 270.441 7

Activity (Go SEA)

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