UCSF

ZINC19880073

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 30 No

Popular Name: (5R)-4-(1,3-benzodioxole-5-carbonyl)-1-(2-dimethylaminoethyl)-5-(4-fluorophenyl)-3-hydroxy-5H-pyrrol (5R)-4-(1,3-benzodioxole-5-carbo…

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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) 2.46 8.2 -70.21 1 7 0 83 412.417 6 ↓
Hi High (pH 8-9.5) 2.46 5.67 -54.84 0 7 -1 82 411.409 6 ↓
Lo Low (pH 4.5-6) 2.46 7.38 -54.78 2 7 1 81 413.425 6 ↓

Activity (Go SEA)

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