UCSF

ZINC42825076

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 0.96 1.56 -10.47 2 5 0 71 236.271 3
Hi High (pH 8-9.5) 0.96 3.02 -39.3 2 5 0 76 236.271 3
Mid Mid (pH 6-8) 0.96 2.56 -52.05 1 5 -1 74 235.263 3
Lo Low (pH 4.5-6) 0.96 2.02 -39.92 3 5 1 73 237.279 3

Activity (Go SEA)

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