UCSF

ZINC39952300

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 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) 0.83 1.88 -47.58 3 5 1 60 270.397 4
Lo Low (pH 4.5-6) 0.83 5.01 -113.37 4 5 2 62 271.405 4

Activity (Go SEA)

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