In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 18 | Yes |
Popular Name: (1S)-1-(3,4-dichlorophenyl)-N-isopropyl-N-propyl-ethane-1,2-diamine (1S)-1-(3,4-dichlorophenyl)-N-is…
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) | 3.56 | 7.07 | -133.97 | 4 | 2 | 2 | 32 | 291.266 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 7.92 | -33.45 | 3 | 2 | 1 | 30 | 290.258 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.56 | 5.92 | -47.9 | 3 | 2 | 1 | 31 | 290.258 | 6 | ↓ |