UCSF

ZINC71565000

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 30 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) 3.75 6.88 -64.82 0 8 -1 106 447.514 9
Mid Mid (pH 6-8) 4.68 7.18 -20.8 1 8 0 107 448.522 8

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

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