UCSF

ZINC22863135

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 28 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) 4.37 11.55 -43.13 1 4 1 34 401.958 8
Mid Mid (pH 6-8) 4.37 10.19 -7.03 0 4 0 33 400.95 8
Mid Mid (pH 6-8) 4.37 12.17 -46.73 1 4 1 34 401.958 8

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

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