UCSF

ZINC69489515

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 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) 0.28 4.67 -36.1 2 6 1 59 322.429 7
Hi High (pH 8-9.5) 0.28 3.29 -13.15 1 6 0 54 321.421 7
Lo Low (pH 4.5-6) 0.28 5.71 -40.29 2 6 1 55 322.429 7
Lo Low (pH 4.5-6) 0.28 7.09 -93.73 3 6 2 60 323.437 7

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

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