UCSF

ZINC20229797

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 37 No

Popular Name: (5S)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(3-morpholinopropyl)-5-(4-nitrophenyl)- (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) 1.99 7.6 -58.2 0 11 -1 137 508.507 8 ↓
Mid Mid (pH 6-8) 1.99 9.86 -81.21 1 11 0 138 509.515 8 ↓
Lo Low (pH 4.5-6) 1.99 9.11 -66.21 2 11 1 136 510.523 8 ↓

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