UCSF

ZINC09421769

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 21 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) 2.72 -3.43 -15.11 1 6 0 85 346.817 6
Hi High (pH 8-9.5) 2.72 -2.87 -46.49 0 6 -1 87 345.809 6
Lo Low (pH 4.5-6) 3.64 5.03 -16.64 1 6 0 89 346.817 5

Activity (Go SEA)

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

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