UCSF

ZINC63251810

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 24 No

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) 4.37 9.51 -122.34 3 5 2 76 329.444 3
Mid Mid (pH 6-8) 4.37 8.53 -36 2 5 1 72 328.436 3

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

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