In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: (2R,4S)-N-(2-dimethylaminoethyl)-4-hydroxy-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide (2R,4S)-N-(2-dimethylaminoethyl)…
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) | -0.88 | 2.62 | -107.04 | 4 | 6 | 2 | 74 | 294.399 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.88 | 1.33 | -54.3 | 3 | 6 | 1 | 70 | 293.391 | 6 | ↓ |
Lo Low (pH 4.5-6) | -0.88 | 3.2 | -170.4 | 5 | 6 | 3 | 76 | 295.407 | 6 | ↓ |