In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 19 | Yes |
Popular Name: (2R)-2-[[(1S)-1-(5-bromo-2-thienyl)ethyl]amino]-1-(1-piperidyl)propan-1-one (2R)-2-[[(1S)-1-(5-bromo-2-thien…
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) | 3.48 | 7.65 | -37.41 | 2 | 3 | 1 | 37 | 346.314 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.48 | 6.59 | -8.43 | 1 | 3 | 0 | 32 | 345.306 | 4 | ↓ |