UCSF

ZINC34671919

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 28 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) 1.65 7.55 -17.88 1 7 0 75 390.39 5
Lo Low (pH 4.5-6) 1.65 7.87 -48.84 2 7 1 76 391.398 5

Activity (Go SEA)

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