UCSF

ZINC20127141

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 0.92 5.5 -37.26 2 4 1 37 254.398 5
Lo Low (pH 4.5-6) 0.92 6.72 -111.39 3 4 2 41 255.406 5

Activity (Go SEA)

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