UCSF

ZINC52904914

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 18 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) 2.70 6.56 -98.66 4 3 2 41 270.804 5
Hi High (pH 8-9.5) 2.70 3.95 -4.1 2 3 0 38 268.788 5
Hi High (pH 8-9.5) 2.70 6.15 -37.81 3 3 1 40 269.796 5

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

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