UCSF

ZINC67514370

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 26 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) -2.86 3.25 -36.92 3 8 1 94 378.478 4
Hi High (pH 8-9.5) -2.68 0.69 -54.5 2 8 0 101 377.47 4

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

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