UCSF

ZINC35641087

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 28 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) 2.68 5.79 -11.15 1 8 0 80 389.452 7
Lo Low (pH 4.5-6) 2.68 7.56 -44.94 2 8 1 82 390.46 7

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

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