UCSF

ZINC62614643

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 23 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) 0.88 1.07 -19.61 2 8 0 118 337.357 5
Hi High (pH 8-9.5) 1.34 -1.56 -51.47 1 8 -1 121 336.349 5

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

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