UCSF

ZINC49236431

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 17 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -1.02 1.34 -22.21 0 6 0 68 258.347 3
Lo Low (pH 4.5-6) -1.02 3.59 -65.43 1 6 1 69 259.355 3

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

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