UCSF

ZINC65503214

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 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) 1.91 5.02 -36.65 3 6 1 73 315.397 6
Mid Mid (pH 6-8) 1.91 4.64 -12.46 2 6 0 72 314.389 6
Lo Low (pH 4.5-6) 1.91 6.49 -115.27 4 6 2 77 316.405 6

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

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