UCSF

ZINC54965056

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 Yes

Other Names:

MFCD03427897

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) 2.39 7.48 -48.46 2 5 -1 92 278.328 6
Mid Mid (pH 6-8) 2.39 7.14 -35.8 3 5 0 94 279.336 6

Activity (Go SEA)

Rings

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