UCSF

ZINC39780609

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 18 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) 0.84 3.03 -47.31 2 4 1 38 249.334 2
Hi High (pH 8-9.5) 0.84 1.63 -6.95 1 4 0 34 248.326 2
Mid Mid (pH 6-8) 0.84 5.19 -126.75 3 4 2 40 250.342 2

Activity (Go SEA)

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