UCSF

ZINC09422166

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 27 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) 3.51 9.63 -19.69 1 6 0 78 366.417 4
Lo Low (pH 4.5-6) 3.51 -0.42 -38.49 2 6 1 78 367.425 4

Activity (Go SEA)

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

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