UCSF

ZINC20227883

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 36 No

Popular Name: (5R)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(3-morpholinopropyl (5R)-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) 2.09 6.35 -61.19 0 9 -1 101 493.536 8 ↓
Mid Mid (pH 6-8) 2.09 8.68 -82.01 1 9 0 102 494.544 8 ↓
Lo Low (pH 4.5-6) 2.09 7.86 -60.58 2 9 1 99 495.552 8 ↓

Activity (Go SEA)

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