UCSF

ZINC55107063

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 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) 3.23 8.28 -28.78 2 4 0 46 318.466 7
Mid Mid (pH 6-8) 3.23 8.2 -13.86 1 4 0 45 317.458 7
Lo Low (pH 4.5-6) 3.23 8.48 -70.48 3 4 0 48 319.474 7

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

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