In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 16 | Yes |
Popular Name: 1-(aminomethyl)-N-methyl-N-(3-pyridylmethyl)cyclopentanamine 1-(aminomethyl)-N-methyl-N-(3-py…
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) | 0.78 | 4.87 | -122.21 | 4 | 3 | 2 | 45 | 221.348 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.78 | 4.35 | -31.94 | 3 | 3 | 1 | 43 | 220.34 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.78 | 2.94 | -44.23 | 3 | 3 | 1 | 44 | 220.34 | 4 | ↓ |