In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 18 | Yes |
Popular Name: N-[(1S)-1-(5-bromo-2-thienyl)ethyl]-1-propyl-piperidin-4-amine N-[(1S)-1-(5-bromo-2-thienyl)eth…
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) | 4.19 | 8.24 | -35.84 | 2 | 2 | 1 | 16 | 332.331 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.19 | 9.29 | -105.4 | 3 | 2 | 2 | 21 | 333.339 | 5 | ↓ |