UCSF

ZINC20148731

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 16 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) 0.34 2.62 -41.78 3 4 1 46 228.36 5
Lo Low (pH 4.5-6) 0.34 3.89 -113.65 4 4 2 50 229.368 5
Lo Low (pH 4.5-6) 0.34 1.63 -48.7 3 4 1 49 228.36 5

Activity (Go SEA)

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