UCSF

ZINC69181847

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 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) 1.08 4.77 -47.2 2 5 1 46 306.43 7
Hi High (pH 8-9.5) 1.08 2.3 -9.72 1 5 0 45 305.422 7
Mid Mid (pH 6-8) 1.08 7.05 -92.6 3 5 2 47 307.438 7

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

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