UCSF

ZINC34717595

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 20 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) -0.40 5.26 -91.01 5 4 2 61 277.412 6
Hi High (pH 8-9.5) -0.40 4.89 -37.4 4 4 1 60 276.404 6

Activity (Go SEA)

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