UCSF

ZINC31806786

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 31 No

Popular Name: (4S)-4-(2,5-dimethoxyphenyl)-3-methyl-1-(9H-purin-6-yl)-4,8-dihydropyrazolo[3,4-e][1,4]thiazepin-7-o (4S)-4-(2,5-dimethoxyphenyl)-3-m…

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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) 1.52 8.61 -19.33 2 10 0 120 437.485 4 ↓
Hi High (pH 8-9.5) 1.71 6.49 -52.92 1 10 -1 122 436.477 4 ↓
Hi High (pH 8-9.5) 1.52 8.11 -47.18 1 10 -1 118 436.477 4 ↓
Mid Mid (pH 6-8) 1.52 8.54 -18.28 2 10 0 120 437.485 4 ↓
Mid Mid (pH 6-8) 1.71 6.97 -18.5 2 10 0 123 437.485 4 ↓

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