UCSF

ZINC39538075

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 19 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) 1.92 5.75 -33.45 1 3 1 11 262.421 5
Hi High (pH 8-9.5) 1.92 5.83 -35.31 1 3 1 11 262.421 5
Hi High (pH 8-9.5) 1.92 3.44 -2.74 0 3 0 10 261.413 5
Mid Mid (pH 6-8) 1.92 8.1 -101.42 2 3 2 12 263.429 5
Mid Mid (pH 6-8) 1.92 5.79 -38.08 1 3 1 11 262.421 5

Activity (Go SEA)

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