UCSF

ZINC22681110

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 30 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) 3.33 10.53 -76.88 2 6 0 74 442.61 5
Mid Mid (pH 6-8) 2.87 10.95 -64.3 3 6 1 71 443.618 5
Mid Mid (pH 6-8) 3.33 8.45 -43.91 1 6 -1 73 441.602 5
Mid Mid (pH 6-8) 2.87 8.87 -15.88 2 6 0 70 442.61 5

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

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