In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: (2R)-2-amino-1-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]hexan-1-one (2R)-2-amino-1-[4-(pyrrolidin-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) | 1.68 | 7.04 | -91.31 | 4 | 4 | 2 | 52 | 283.46 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 6.74 | -41.12 | 3 | 4 | 1 | 51 | 282.452 | 6 | ↓ |