UCSF

ZINC62877478

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2011 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) -0.28 2.33 -57.52 2 8 0 113 296.327 5
Hi High (pH 8-9.5) -0.28 0.75 -64.73 1 8 -1 111 295.319 5

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

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