UCSF

ZINC71877943

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2012 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 7.04 11.79 -43.36 1 3 -1 60 455.703 2
Lo Low (pH 4.5-6) 7.04 9.83 -4.3 2 3 0 58 456.711 2

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

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