UCSF

ZINC71502751

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 22 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) 3.73 11.98 -45.53 1 3 1 22 294.422 6
Mid Mid (pH 6-8) 3.73 10.28 -27.08 1 3 1 22 294.422 6
Mid Mid (pH 6-8) 3.73 9.82 -9.21 0 3 0 21 293.414 6

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

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