UCSF

ZINC04860665

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 24 No

Other Names:

MFCD02333050

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) 4.79 10.36 -8.66 2 4 0 53 352.85 4
Lo Low (pH 4.5-6) 4.72 10.5 -39.51 3 4 1 51 353.858 4
Lo Low (pH 4.5-6) 4.72 10.55 -41.02 3 4 1 51 353.858 4

Activity (Go SEA)

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