In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 18 | Yes |
Popular Name: (1R,2S)-1-(4-chlorophenyl)-N1-cyclopentyl-N1-methyl-propane-1,2-diamine (1R,2S)-1-(4-chlorophenyl)-N1-cy…
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) | 3.21 | 7.11 | -115.11 | 4 | 2 | 2 | 32 | 268.832 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.21 | 6.78 | -32.22 | 3 | 2 | 1 | 30 | 267.824 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 5.71 | -44.52 | 3 | 2 | 1 | 31 | 267.824 | 4 | ↓ |