UCSF

ZINC13989232

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 24 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) 3.50 9.87 -6.36 0 2 0 16 324.374 6
Lo Low (pH 4.5-6) 3.51 12.37 -112.99 2 2 2 19 326.39 6

Activity (Go SEA)

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