UCSF

ZINC65497691

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 17 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) 1.92 3.89 -42.1 4 4 1 66 230.291 1
Hi High (pH 8-9.5) 1.92 2.74 -8.34 3 4 0 61 229.283 1
Lo Low (pH 4.5-6) 1.92 3.21 -35.54 4 4 1 62 230.291 1
Lo Low (pH 4.5-6) 1.92 4.62 -103.34 5 4 2 67 231.299 1

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

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