UCSF

ZINC65580981

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 24 Yes

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) 3.65 6.93 -10.97 2 5 0 71 322.364 4
Hi High (pH 8-9.5) 4.11 5 -45.93 1 5 -1 74 321.356 4

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

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