UCSF

ZINC43700226

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) -0.86 4.98 -43.76 3 4 0 71 214.309 4
Mid Mid (pH 6-8) -0.86 3.67 -33.14 3 4 0 71 214.309 4
Mid Mid (pH 6-8) -0.86 5.3 -79.67 4 4 1 72 215.317 4

Activity (Go SEA)

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