In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 22 | Yes |
Popular Name: 3-(3-AMINOMETHYL-AZETIDIN-1-YL)-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER 3-(3-AMINOMETHYL-AZETIDIN-1-YL)-…
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CAS Number: 1131594-92-7
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) | 1.24 | 3.84 | -49.07 | 3 | 5 | 1 | 60 | 304.414 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.24 | 6.98 | -115.64 | 4 | 5 | 2 | 62 | 305.422 | 5 | ↓ |