UCSF

ZINC69814173

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 21 Yes

Popular Name: [(2R)-1-methylpyrrolidin-2-yl]-[4-(thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone [(2R)-1-methylpyrrolidin-2-yl]-[…

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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) 0.81 7.94 -88.62 2 5 2 42 310.467 3 ↓
Hi High (pH 8-9.5) 0.81 4.08 -14.43 0 5 0 40 308.451 3 ↓
Mid Mid (pH 6-8) 0.81 6.05 -36.72 1 5 1 41 309.459 3 ↓

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