UCSF

ZINC62568210

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 14 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) 0.61 2.6 -33.36 2 3 1 29 199.318 2
Hi High (pH 8-9.5) 0.61 1.35 -2.72 1 3 0 24 198.31 2
Lo Low (pH 4.5-6) 0.61 3.33 -26.15 2 3 1 26 199.318 2
Lo Low (pH 4.5-6) 0.61 4.6 -102.1 3 3 2 30 200.326 2

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

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