UCSF

ZINC04499984

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 25 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) 2.23 3.11 -53.44 2 8 -1 119 356.387 5
Mid Mid (pH 6-8) 2.23 3.11 -121.94 1 8 -2 117 355.379 5
Mid Mid (pH 6-8) 2.41 3.37 -43.66 2 8 -1 118 356.387 4

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

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