UCSF

ZINC20739046

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 25 No

Popular Name: (4S)-4-[4-(cyclopentoxy)-3-methoxy-phenyl]-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-4-[4-(cyclopentoxy)-3-metho…

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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) 2.72 4.72 -11.23 2 6 0 80 359.451 4 ↓
Ref Reference (pH 7) 2.53 7.18 -11.12 2 6 0 76 359.451 4 ↓
Hi High (pH 8-9.5) 2.61 4.65 -49.02 0 6 -1 79 358.443 4 ↓
Mid Mid (pH 6-8) 2.53 7.16 -9.64 2 6 0 76 359.451 4 ↓
Mid Mid (pH 6-8) 2.72 4.73 -9.02 2 6 0 80 359.451 4 ↓

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