UCSF

ZINC20219256

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 No

Popular Name: (5S)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-pyridyl)-5H (5S)-4-(2,3-dihydro-1,4-benzodio…

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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) 0.63 6.79 -73.21 1 8 0 96 409.442 6 ↓
Hi High (pH 8-9.5) 0.63 4.26 -58.66 0 8 -1 95 408.434 6 ↓
Lo Low (pH 4.5-6) 0.63 5.97 -54.66 2 8 1 93 410.45 6 ↓

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