UCSF

ZINC69236410

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 17 Yes

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) 3.04 6.42 -25.29 3 3 1 42 236.383 5
Hi High (pH 8-9.5) 3.04 5.69 -6.57 2 3 0 41 235.375 5
Mid Mid (pH 6-8) 3.04 6.89 -37.78 3 3 1 45 236.383 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.