UCSF

ZINC04773848

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 19 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) -1.42 -2.94 -53.02 7 9 1 147 267.269 2
Hi High (pH 8-9.5) -1.42 -3.31 -11.7 6 9 0 145 266.261 2

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

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