In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 24 | Yes |
Popular Name: 3-[(2R,6S)-2,6-dimethyl-4-(m-tolylsulfonyl)piperazin-1-yl]-N,N-dimethyl-propan-1-amine 3-[(2R,6S)-2,6-dimethyl-4-(m-tol…
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) | 2.53 | 6.2 | -44.98 | 1 | 5 | 1 | 45 | 354.54 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.53 | 8.32 | -104.83 | 2 | 5 | 2 | 46 | 355.548 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.53 | 5.86 | -41.42 | 1 | 5 | 1 | 45 | 354.54 | 6 | ↓ |