UCSF

ZINC09422224

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 26 No

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) 2.16 -1.57 -54.89 0 5 -1 75 403.53 6
Lo Low (pH 4.5-6) 2.16 -1.49 -75.99 1 5 0 76 404.538 6

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

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