In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-1-(4-chlorophenyl)-N1-methyl-N1-tetrahydropyran-4-yl-propane-1,2-diamine (1S,2S)-1-(4-chlorophenyl)-N1-me…
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) | 2.18 | 5.97 | -127.71 | 4 | 3 | 2 | 41 | 284.831 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.18 | 6.07 | -34.95 | 3 | 3 | 1 | 40 | 283.823 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 4.31 | -45.07 | 3 | 3 | 1 | 40 | 283.823 | 4 | ↓ |