UCSF

ZINC15954065

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 18 Yes

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) 1.61 7.5 -15.43 0 5 0 61 239.234 3
Mid Mid (pH 6-8) 1.61 7.98 -34.24 1 5 1 62 240.242 3
Lo Low (pH 4.5-6) 1.61 8.24 -86.69 2 5 2 63 241.25 3
Lo Low (pH 4.5-6) 1.61 7.76 -35.25 1 5 1 62 240.242 3

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

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