UCSF

ZINC65520594

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 24 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) -0.36 7.15 -43.15 1 7 1 57 333.46 4
Lo Low (pH 4.5-6) -0.36 9.32 -96.4 2 7 2 58 334.468 4

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

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