In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 20 | Yes |
Popular Name: (2S)-2-pyrrolidin-1-yl-2-(2,4,5-trimethoxyphenyl)ethanamine (2S)-2-pyrrolidin-1-yl-2-(2,4,5-…
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) | 0.76 | 4.52 | -124.5 | 4 | 5 | 2 | 60 | 282.384 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.76 | 2.89 | -44.08 | 3 | 5 | 1 | 59 | 281.376 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.76 | 4.04 | -31.36 | 3 | 5 | 1 | 58 | 281.376 | 6 | ↓ |