UCSF

ZINC65587721

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 22 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) 0.78 2.76 -112.55 1 8 -2 122 318.314 4
Lo Low (pH 4.5-6) 0.78 2.63 -57.93 2 8 -1 120 319.322 4

Activity (Go SEA)

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

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