UCSF

ZINC69944311

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.02 5.28 -44.46 3 3 1 44 220.34 2
Hi High (pH 8-9.5) 2.02 5.02 -3.98 2 3 0 42 219.332 2
Mid Mid (pH 6-8) 2.02 5.73 -97.24 4 3 2 45 221.348 2

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

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