UCSF

ZINC62914789

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2011 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) 3.58 6.15 -43.45 3 3 1 45 264.78 3
Lo Low (pH 4.5-6) 3.58 6.39 -102.59 4 3 2 47 265.788 3

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

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