In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 17 | Yes |
Popular Name: (1S,2R)-N-methyl-2-[(3R)-3-propoxy-1-piperidyl]cyclopentanamine (1S,2R)-N-methyl-2-[(3R)-3-propo…
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) | 2.26 | 7.59 | -109.88 | 3 | 3 | 2 | 30 | 242.407 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.26 | 5.97 | -34.76 | 2 | 3 | 1 | 29 | 241.399 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.26 | 5.52 | -1.27 | 1 | 3 | 0 | 24 | 240.391 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.26 | 7.12 | -30.73 | 2 | 3 | 1 | 26 | 241.399 | 5 | ↓ |