UCSF

ZINC69091543

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.07 5.76 -37.63 1 3 1 30 251.375 5
Hi High (pH 8-9.5) 3.07 3.44 -8.26 0 3 0 29 250.367 5

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

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