UCSF

ZINC43896864

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.27 7.56 -93.75 3 3 2 24 263.429 5
Hi High (pH 8-9.5) 2.27 5.35 -35.63 2 3 1 23 262.421 5
Hi High (pH 8-9.5) 2.27 3.67 -2.17 1 3 0 19 261.413 5
Mid Mid (pH 6-8) 2.27 6.09 -32.28 2 3 1 20 262.421 5
Mid Mid (pH 6-8) 2.27 7.21 -121.37 3 3 2 24 263.429 5

Activity (Go SEA)

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