UCSF

ZINC05202151

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 22 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) 3.77 6.99 -10.58 0 4 0 38 293.37 3
Mid Mid (pH 6-8) 3.77 9.51 -42.63 1 4 1 39 294.378 3
Mid Mid (pH 6-8) 3.77 9.24 -44.1 1 4 1 39 294.378 3

Activity (Go SEA)

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