UCSF

ZINC43700013

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 15 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) -0.13 5.77 -39.53 3 4 0 71 216.325 9
Mid Mid (pH 6-8) -0.13 4.5 -32 3 4 0 71 216.325 9
Mid Mid (pH 6-8) -0.13 6.18 -81.32 4 4 1 72 217.333 9

Activity (Go SEA)

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