In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 18 | Yes |
Popular Name: (1R,2R)-1-(5-chloro-2-thienyl)-N1-cyclopropyl-N1-(2-methoxyethyl)propane-1,2-diamine (1R,2R)-1-(5-chloro-2-thienyl)-N…
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 | 4.97 | -29.31 | 3 | 3 | 1 | 40 | 289.852 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.18 | 3.02 | -1.88 | 2 | 3 | 0 | 38 | 288.844 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 3.33 | -42.59 | 3 | 3 | 1 | 40 | 289.852 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 5.23 | -106.05 | 4 | 3 | 2 | 41 | 290.86 | 7 | ↓ |