UCSF

ZINC36754921

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) -0.01 1.79 -93.9 6 5 2 88 250.346 2
Mid Mid (pH 6-8) -0.01 1.36 -48.44 5 5 1 87 249.338 2

Activity (Go SEA)

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