UCSF

ZINC19365683

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 11 Yes

Other Names:

MFCD00037060

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) -0.67 1 -88.96 5 3 2 44 161.293 7
Hi High (pH 8-9.5) -0.67 -1.22 -42.1 4 3 1 43 160.285 7

Activity (Go SEA)

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