UCSF

ZINC22767787

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 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) -0.20 3.5 -9.31 1 8 0 81 333.392 5
Mid Mid (pH 6-8) -0.20 5.83 -47.24 2 8 1 83 334.4 5
Lo Low (pH 4.5-6) -3.94 6.12 -96.66 3 8 2 84 335.408 5

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

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