UCSF

ZINC69948711

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 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) 2.17 9.25 -43.46 1 3 1 25 265.352 3
Hi High (pH 8-9.5) 2.17 7.4 -9.59 0 3 0 24 264.344 3

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

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