UCSF

ZINC69944683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 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) 1.96 3.74 -29.24 2 3 1 26 227.372 2
Hi High (pH 8-9.5) 1.96 2.88 -0.85 1 3 0 24 226.364 2
Lo Low (pH 4.5-6) 1.96 5.35 -107.32 3 3 2 30 228.38 2

Activity (Go SEA)

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

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