UCSF

ZINC67867053

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2011 30 Yes

Popular Name: 1,4-diazepan-1-yl-[(3R)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-piperidyl]methanon 1,4-diazepan-1-yl-[(3R)-1-(2-phe…

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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) 2.92 11.78 -51.14 2 6 1 66 406.554 3 ↓
Hi High (pH 8-9.5) 2.92 10.48 -12.28 1 6 0 61 405.546 3 ↓
Mid Mid (pH 6-8) 2.92 12.1 -77.33 3 6 2 67 407.562 3 ↓

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