In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 21 | Yes |
Popular Name: (1R)-1-(7-chloro-1,3-benzodioxol-5-yl)-N-cyclopentyl-N-ethyl-ethane-1,2-diamine (1R)-1-(7-chloro-1,3-benzodioxol…
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) | 3.00 | 6.15 | -132.35 | 4 | 4 | 2 | 51 | 312.841 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 6.54 | -37.43 | 3 | 4 | 1 | 49 | 311.833 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 4.57 | -50.37 | 3 | 4 | 1 | 49 | 311.833 | 5 | ↓ |