In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 19 | Yes |
Popular Name: (2R)-N-[(1S)-1-(5-bromo-2-thienyl)ethyl]-3-methyl-2-pyrrolidin-1-yl-butan-1-amine (2R)-N-[(1S)-1-(5-bromo-2-thieny…
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) | 4.43 | 9.49 | -30.75 | 2 | 2 | 1 | 16 | 346.358 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.43 | 10.25 | -111.4 | 3 | 2 | 2 | 21 | 347.366 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.43 | 7.95 | -36.53 | 2 | 2 | 1 | 20 | 346.358 | 6 | ↓ |