In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-1-(4-chlorophenyl)-N1-cyclopentyl-N1-ethyl-propane-1,2-diamine (1S,2R)-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) | 3.58 | 7.82 | -116.39 | 4 | 2 | 2 | 32 | 282.859 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.58 | 7.51 | -31.3 | 3 | 2 | 1 | 30 | 281.851 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.58 | 6.13 | -42.88 | 3 | 2 | 1 | 31 | 281.851 | 5 | ↓ |