UCSF

ZINC19365689

Substance Information

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

Other Names:

MFCD00020568

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) -0.10 -0.43 -35.55 3 3 1 40 161.269 7
Mid Mid (pH 6-8) -0.10 0.32 -33.05 3 3 1 37 161.269 7
Lo Low (pH 4.5-6) -0.10 1.79 -103.69 4 3 2 41 162.277 7

Activity (Go SEA)

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