UCSF

ZINC00597048

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 26 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) 2.51 1.76 -42.1 3 8 1 120 375.382 4
Ref Reference (pH 7) 2.56 -1.9 -38.85 3 8 1 123 375.382 4
Mid Mid (pH 6-8) 1.88 3.14 -23.66 2 8 0 115 374.374 5
Mid Mid (pH 6-8) 1.93 -0.42 -15.98 2 8 0 118 374.374 5
Lo Low (pH 4.5-6) 2.56 -0.8 -118.57 4 8 2 125 376.39 4

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

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