UCSF

ZINC71539323

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 21 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) 0.11 5.97 -58.82 2 9 0 104 286.299 4
Mid Mid (pH 6-8) 0.11 3.39 -50.06 1 9 -1 102 285.291 4
Lo Low (pH 4.5-6) 0.11 5.8 -40.91 3 9 1 105 287.307 4

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

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