UCSF

ZINC03630950

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 17 Yes

Popular Name: 1-(4-(Hexahydro-1H-azepin-1-yl)-2-butynyl)-2-pyrrolidinone fumarate (2:3); 2-Pyrrolidinone, 1-(4-(hexahydro-1H-azepin-1-yl)-2-butynyl)-, fumarate (2:3); LS-138831; PN 309 1-(4-(Hexahydro-1H-azepin-1-yl)-…

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Annotations

Vendors

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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) 2.11 8.53 -37.73 1 3 1 25 235.351 2 ↓
Hi High (pH 8-9.5) 2.11 6.43 -10.56 0 3 0 24 234.343 2 ↓

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