UCSF

ZINC13153111

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2008 22 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) 3.06 8.91 -10.41 1 4 0 45 299.349 3
Lo Low (pH 4.5-6) 3.06 9.39 -40.38 2 4 1 46 300.357 3

Activity (Go SEA)

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