UCSF

ZINC12231984

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 26 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) 0.46 8.15 -16.46 2 10 0 123 359.39 4
Mid Mid (pH 6-8) 0.46 0.43 -35.93 3 10 1 124 360.398 4

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

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