UCSF

ZINC48279621

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 25 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) 1.46 7.84 -17.29 1 6 0 77 356.451 5
Lo Low (pH 4.5-6) 1.46 8.3 -50.85 2 6 1 78 357.459 5

Activity (Go SEA)

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