UCSF

ZINC42694608

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 21 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) -0.54 3.59 -26.97 1 8 0 106 293.279 5
Mid Mid (pH 6-8) -0.08 1.45 -62.52 0 8 -1 109 292.271 5

Activity (Go SEA)

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