UCSF

ZINC54899097

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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) 1.73 7.82 -83.39 3 4 2 37 270.446 4
Hi High (pH 8-9.5) 1.73 4.64 -4.72 1 4 0 31 268.43 4
Mid Mid (pH 6-8) 1.73 5.87 -36.73 2 4 1 36 269.438 4

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

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