UCSF

ZINC53319129

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 42 No

Popular Name: [4-[7-[(2R)-2-amino-3-phenyl-propanoyl]oxy-5-hydroxy-4-oxo-chromen-3-yl]phenyl] [4-[7-[(2R)-2-amino-3-phenyl-pro…

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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) 3.25 12.54 -17.77 5 9 0 155 564.594 11 ↓
Hi High (pH 8-9.5) 3.25 13.52 -63.98 4 9 -1 158 563.586 11 ↓
Mid Mid (pH 6-8) 3.25 13.18 -104.62 7 9 2 158 566.61 11 ↓
Mid Mid (pH 6-8) 3.25 12.88 -53.85 6 9 1 157 565.602 11 ↓
Mid Mid (pH 6-8) 3.25 12.86 -61.61 6 9 1 157 565.602 11 ↓

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

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