UCSF

ZINC69950997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 23 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) 2.97 6.23 -26.73 1 5 0 68 348.449 5
Hi High (pH 8-9.5) 2.97 5.82 -44.11 0 5 -1 70 347.441 5

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

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