UCSF

ZINC01068176

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 28 No

Popular Name: (4S)-6-amino-4-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonit (4S)-6-amino-4-(1,3-benzodioxol-…

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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) 2.95 3.81 -11.49 3 7 0 106 376.347 2 ↓
Lo Low (pH 4.5-6) 2.95 4.11 -64.32 4 7 1 108 377.355 2 ↓

Activity (Go SEA)

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