UCSF

ZINC19995321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 18 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) -1.02 5.62 -52.86 2 6 1 60 271.366 4
Hi High (pH 8-9.5) -1.02 3.08 -8.68 1 6 0 59 270.358 4

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

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