In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: [5-[(4-ethyl-1-piperidyl)sulfonyl]-2-thienyl]methanamine [5-[(4-ethyl-1-piperidyl)sulfony…
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) | 2.46 | 2.95 | -55.67 | 3 | 4 | 1 | 65 | 289.446 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.46 | 2.55 | -8.61 | 2 | 4 | 0 | 63 | 288.438 | 4 | ↓ |