In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 16th, 2010 | 19 | Yes |
Popular Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone 1-(1-ethyl-2,5-dimethyl-pyrrol-3…
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) | 0.98 | 6.13 | -32.7 | 2 | 4 | 1 | 47 | 265.377 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 4.35 | -9.66 | 1 | 4 | 0 | 45 | 264.369 | 5 | ↓ |