In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 22 | Yes |
Popular Name: (2R)-2-(4-fluorophenyl)-N-(4-pyridylmethyl)-2-pyrrolidin-1-yl-ethanamine (2R)-2-(4-fluorophenyl)-N-(4-pyr…
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) | 2.38 | 7.65 | -4.64 | 1 | 3 | 0 | 28 | 299.393 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.38 | 9.76 | -40.2 | 2 | 3 | 1 | 29 | 300.401 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.38 | 10.35 | -92.26 | 3 | 3 | 2 | 31 | 301.409 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.38 | 7.49 | -50.68 | 2 | 3 | 1 | 33 | 300.401 | 6 | ↓ |