UCSF

ZINC43700838

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) 0.95 3.87 -16.75 3 6 0 89 294.314 4
Lo Low (pH 4.5-6) 0.95 4.37 -39.28 4 6 1 91 295.322 4

Activity (Go SEA)

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