UCSF

ZINC13228267

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 30 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) 3.63 9.63 -15.59 1 6 0 84 398.418 2
Lo Low (pH 4.5-6) 3.63 9.9 -31.32 2 6 1 85 399.426 2

Activity (Go SEA)

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