UCSF

ZINC69462751

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 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) 1.05 4.2 -46.91 2 7 1 81 338.457 4
Hi High (pH 8-9.5) 1.05 3.94 -35.84 1 7 0 83 337.449 4
Hi High (pH 8-9.5) 1.05 1.79 -11.18 1 7 0 80 337.449 4

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

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