UCSF

ZINC04978984

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 26 No

Other Names:

MFCD03730591

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) 1.31 0.49 -18.78 5 8 0 140 353.382 6
Lo Low (pH 4.5-6) 1.31 1.37 -67.93 6 8 1 142 354.39 6

Activity (Go SEA)

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