UCSF

ZINC52046397

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 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) 4.01 10.64 -26.09 3 3 1 41 254.357 4
Hi High (pH 8-9.5) 3.88 10.72 -5.02 2 3 0 42 253.349 3

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

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