UCSF

ZINC62952925

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 1.33 7.85 -33.66 3 2 1 30 259.417 2
Hi High (pH 8-9.5) 1.33 5.66 -1.66 2 2 0 29 258.409 2
Lo Low (pH 4.5-6) 1.33 8.11 -126.48 4 2 2 32 260.425 2

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

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