UCSF

ZINC69516573

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 24 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) 1.21 9.32 -33.83 1 6 1 56 346.48 5
Hi High (pH 8-9.5) 1.21 8.83 -24.1 0 6 0 54 345.472 5
Lo Low (pH 4.5-6) 1.21 11.58 -91.49 2 6 2 57 347.488 5

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

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