In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 18 | Yes |
Popular Name: (1S)-1-(5-ethyl-2-thienyl)-N-[(1-methyl-4-piperidyl)methyl]ethanamine (1S)-1-(5-ethyl-2-thienyl)-N-[(1…
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) | 3.55 | 9.68 | -94.91 | 3 | 2 | 2 | 21 | 268.47 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.55 | 8.59 | -32.99 | 2 | 2 | 1 | 16 | 267.462 | 5 | ↓ |