UCSF

ZINC67947668

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 25 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) 1.70 8.42 -55.29 2 5 1 59 346.495 4
Lo Low (pH 4.5-6) 1.70 8.79 -86.81 3 5 2 60 347.503 4

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

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