UCSF

ZINC69949747

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 15 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) -0.45 1.68 -37.64 4 7 1 108 228.257 2
Hi High (pH 8-9.5) -0.45 1.21 -21.57 3 7 0 107 227.249 2

Activity (Go SEA)

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

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