UCSF

ZINC43700057

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) -1.06 4.43 -46.53 3 4 0 71 188.271 7
Hi High (pH 8-9.5) -1.06 2.39 -43.39 2 4 -1 69 187.263 7
Mid Mid (pH 6-8) -1.06 2.78 -32.36 3 4 0 71 188.271 7
Mid Mid (pH 6-8) -1.06 4.76 -82.09 4 4 1 72 189.279 7

Activity (Go SEA)

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