UCSF

ZINC07053301

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 24 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) 4.89 8.46 -13.98 1 6 0 92 348.424 6
Mid Mid (pH 6-8) 4.89 8.51 -48.66 0 6 -1 94 347.416 6

Activity (Go SEA)

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