In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2010 | 21 | Yes |
Popular Name: (1R,2S)-N-ethyl-1-phenyl-2-(4-propylpiperazin-1-yl)propan-1-amine (1R,2S)-N-ethyl-1-phenyl-2-(4-pr…
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) | 3.19 | 10.62 | -94.52 | 3 | 3 | 2 | 24 | 291.483 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.19 | 8.35 | -33.99 | 2 | 3 | 1 | 23 | 290.475 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 8.51 | -112.16 | 3 | 3 | 2 | 24 | 291.483 | 7 | ↓ |