UCSF

ZINC20126038

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 3.76 8.15 -37.68 2 2 1 16 288.242 3
Mid Mid (pH 6-8) 3.76 6.87 -46.98 2 2 1 20 288.242 3
Lo Low (pH 4.5-6) 3.76 9.29 -115.38 3 2 2 21 289.25 3

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

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