UCSF

ZINC69144583

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 19 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) 0.68 2.49 -15.57 1 6 0 96 280.353 2
Lo Low (pH 4.5-6) 0.68 2.61 -44.2 2 6 1 97 281.361 2

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

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