UCSF

ZINC43967508

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 1.97 7.87 -93.2 3 3 2 24 261.413 5
Hi High (pH 8-9.5) 1.97 5.64 -36.12 2 3 1 23 260.405 5
Hi High (pH 8-9.5) 1.97 3.89 -1.86 1 3 0 19 259.397 5
Mid Mid (pH 6-8) 1.97 5.94 -30.86 2 3 1 20 260.405 5
Mid Mid (pH 6-8) 1.97 7.45 -122.44 3 3 2 24 261.413 5

Activity (Go SEA)

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