UCSF

ZINC43967555

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 1.95 8.46 -91.89 3 3 2 24 273.424 3
Hi High (pH 8-9.5) 1.95 6.23 -36.85 2 3 1 23 272.416 3
Mid Mid (pH 6-8) 1.95 6.42 -30.8 2 3 1 20 272.416 3
Mid Mid (pH 6-8) 1.95 7.37 -115.56 3 3 2 24 273.424 3

Activity (Go SEA)

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