UCSF

ZINC71557149

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.88 7.32 -17.9 1 9 0 125 455.444 9
Hi High (pH 8-9.5) 4.33 4.69 -49.47 0 9 -1 128 454.436 9

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

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