UCSF

ZINC71610644

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 12 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) -1.05 -7.25 -7.44 4 6 0 96 165.156 0
Mid Mid (pH 6-8) -1.12 -3.67 -56.35 5 6 1 95 166.164 0
Mid Mid (pH 6-8) -1.05 -6.98 -41.64 5 6 1 98 166.164 0

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

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