UCSF

ZINC42002923

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 16 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) 1.37 3.26 -39.38 2 4 1 37 228.36 4
Mid Mid (pH 6-8) 1.37 3.15 -41.04 2 4 1 37 228.36 4
Mid Mid (pH 6-8) 1.37 0.89 -7.78 1 4 0 36 227.352 4

Activity (Go SEA)

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