UCSF

ZINC42810899

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 No

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) -0.56 -2.03 -12.62 4 7 0 114 273.314 6
Mid Mid (pH 6-8) -0.56 -1.87 -42.36 3 7 -1 116 272.306 6

Activity (Go SEA)

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