UCSF

ZINC40175514

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 20 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) 2.72 5.63 -5.45 2 4 0 65 284.237 4
Lo Low (pH 4.5-6) 2.72 6.05 -34.43 3 4 1 66 285.245 4

Activity (Go SEA)

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