In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: (3R)-N-[(1S)-1-(3-bromo-4-methoxy-phenyl)ethyl]-1-isopropyl-pyrrolidin-3-amine (3R)-N-[(1S)-1-(3-bromo-4-methox…
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) | 3.67 | 6.14 | -44.33 | 2 | 3 | 1 | 29 | 342.301 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.67 | 5.1 | -3.42 | 1 | 3 | 0 | 24 | 341.293 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.67 | 7.45 | -35.59 | 2 | 3 | 1 | 26 | 342.301 | 5 | ↓ |