In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 17 | Yes |
Popular Name: 1-[(3S)-1-[(3-chloro-4-fluoro-phenyl)methyl]pyrrolidin-3-yl]-N-methyl-methanamine 1-[(3S)-1-[(3-chloro-4-fluoro-ph…
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) | 2.80 | 5.5 | -43.4 | 2 | 2 | 1 | 20 | 257.76 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.80 | 7.86 | -111.38 | 3 | 2 | 2 | 21 | 258.768 | 4 | ↓ |