In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: [4-(3-pyridylmethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone [4-(3-pyridylmethyl)piperazin-1-…
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) | -0.11 | 3.13 | -41.18 | 2 | 5 | 1 | 53 | 275.376 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.11 | 5.34 | -103.04 | 3 | 5 | 2 | 54 | 276.384 | 3 | ↓ |