UCSF

ZINC57287977

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 27 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) 2.64 4.3 -46.37 2 7 -1 106 385.469 6
Lo Low (pH 4.5-6) 2.64 4.6 -57.53 3 7 0 107 386.477 6

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

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