UCSF

ZINC22704961

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.30 3.53 -18.32 2 6 0 84 331.184 4
Hi High (pH 8-9.5) 2.12 2.47 -38.61 1 6 -1 90 330.176 4

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

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