UCSF

ZINC62979795

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 14 No

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) 1.08 2.79 -34.31 1 3 1 20 199.318 5
Hi High (pH 8-9.5) 1.08 0.6 -3.51 0 3 0 19 198.31 5
Lo Low (pH 4.5-6) 1.08 5.26 -104.8 2 3 2 21 200.326 5

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

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