UCSF

ZINC39272237

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 23 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) -0.42 1.64 -56.17 2 9 0 112 334.771 7
Mid Mid (pH 6-8) -0.42 1.13 -39.41 1 9 -1 110 333.763 7
Lo Low (pH 4.5-6) -0.42 2.15 -48.35 3 9 1 110 335.779 6

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

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