UCSF

ZINC20192998

Draw Identity 99% 90% 80% 70%

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-phenyl-5H-pyrr (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) 1.92 8.6 -73.24 1 7 0 83 408.454 6 ↓
Hi High (pH 8-9.5) 1.92 6.08 -60.61 0 7 -1 82 407.446 6 ↓
Lo Low (pH 4.5-6) 1.92 7.79 -51.58 2 7 1 81 409.462 6 ↓

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