UCSF

ZINC28628848

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 12 Yes

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) 1.82 4.8 -4.9 0 2 0 27 164.252 5
Lo Low (pH 4.5-6) 1.82 7.1 -42.48 1 2 1 28 165.26 5

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

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