UCSF

ZINC69771520

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 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) 0.79 1.18 -7.05 2 6 0 73 325.453 5
Lo Low (pH 4.5-6) 0.79 3.35 -43.19 3 6 1 74 326.461 5

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

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