UCSF

ZINC62804205

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 20 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) 2.14 5.39 -47.95 2 5 1 53 294.762 4
Hi High (pH 8-9.5) 2.14 4.14 -10.11 1 5 0 48 293.754 4
Lo Low (pH 4.5-6) 2.14 6.05 -83.58 3 5 2 54 295.77 4

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

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