UCSF

ZINC22687118

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 29 No

Download: MOL2 SDF SMILES Flexibase

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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) 1.56 5.98 -21.5 3 8 0 108 400.479 4
Hi High (pH 8-9.5) 2.64 5.34 -60.07 2 8 -1 114 399.471 4

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

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