UCSF

ZINC20032088

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 25 Yes

Other Names:

MFCD05155612

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) 1.89 5.75 -46.22 4 5 1 63 339.463 6
Mid Mid (pH 6-8) 1.89 5.76 -43.58 4 5 1 63 339.463 6
Mid Mid (pH 6-8) 1.89 3.37 -9.26 3 5 0 62 338.455 6

Activity (Go SEA)

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