UCSF

ZINC67447004

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 26 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) 3.64 11.35 -105.49 2 4 2 21 359.558 5
Hi High (pH 8-9.5) 3.64 8.92 -35.86 1 4 1 20 358.55 5
Hi High (pH 8-9.5) 3.64 9.62 -39.52 1 4 1 20 358.55 5

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

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