UCSF

ZINC69493224

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) -1.10 0.58 -11.76 1 5 0 51 228.292 3
Mid Mid (pH 6-8) -1.10 3.01 -44.57 2 5 1 52 229.3 3
Mid Mid (pH 6-8) -1.10 1.82 -45.13 2 5 1 55 229.3 3

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

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