UCSF

ZINC43700054

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 13 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) -1.38 4.14 -39.34 3 4 0 71 188.271 6
Mid Mid (pH 6-8) -1.38 2.98 -32.45 3 4 0 71 188.271 6
Mid Mid (pH 6-8) -1.38 4.53 -81.31 4 4 1 72 189.279 6

Activity (Go SEA)

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