UCSF

ZINC70194952

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 20 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) 1.36 5.37 -13.54 2 6 0 73 272.356 4
Lo Low (pH 4.5-6) 1.36 5.24 -47.73 3 6 1 74 273.364 4
Lo Low (pH 4.5-6) 1.36 5.73 -39.97 3 6 1 74 273.364 4

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

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