UCSF

ZINC22742739

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 27 No

Download: MOL2 SDF SMILES Flexibase

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) 2.61 8.32 -28.14 1 10 0 128 396.425 9
Mid Mid (pH 6-8) 2.68 7.4 -50.68 0 10 -1 135 395.417 9

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

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