UCSF

ZINC43441962

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 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) -0.18 0.12 -16.83 3 7 0 97 273.333 9
Mid Mid (pH 6-8) -0.18 1.31 -44.63 4 7 1 101 274.341 9

Activity (Go SEA)

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