UCSF

ZINC43703961

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -0.35 4.71 -51.45 0 7 -1 86 295.315 5
Mid Mid (pH 6-8) -0.35 6.92 -50.65 1 7 0 87 296.323 5

Activity (Go SEA)

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