UCSF

ZINC20118432

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 22 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) 2.77 8.43 -37.58 1 4 1 26 305.442 8
Hi High (pH 8-9.5) 2.77 5.96 -6.07 0 4 0 25 304.434 8
Mid Mid (pH 6-8) 2.77 8.29 -37.29 1 4 1 26 305.442 8

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

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