UCSF

ZINC61819090

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 15 No

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) 1.42 5.39 -128.02 4 2 2 32 230.421 2
Hi High (pH 8-9.5) 1.42 2.84 -1.96 2 2 0 29 228.405 2
Mid Mid (pH 6-8) 1.42 3.61 -47.36 3 2 1 31 229.413 2
Mid Mid (pH 6-8) 1.42 4.95 -30.28 3 2 1 30 229.413 2

Activity (Go SEA)

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