In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 18 | Yes |
Popular Name: (2S)-N-isopropyl-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide (2S)-N-isopropyl-N-(3-pyridylmet…
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) | 0.67 | 5.29 | -37.95 | 2 | 4 | 1 | 50 | 248.35 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.67 | 5.75 | -98.85 | 3 | 4 | 2 | 51 | 249.358 | 4 | ↓ |