UCSF

ZINC37249478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) -0.43 9.06 -103.56 3 5 2 56 286.379 5
Hi High (pH 8-9.5) -0.43 7.36 -12.66 1 5 0 50 284.363 5
Mid Mid (pH 6-8) -0.43 8.54 -56.05 2 5 1 55 285.371 5

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

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