UCSF

ZINC12139022

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 21 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) 2.31 -0.56 -16.18 1 6 0 81 300.343 5
Mid Mid (pH 6-8) 2.31 -0.3 -45.5 2 6 1 82 301.351 5

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

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