In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 14th, 2010 | 15 | Yes |
Popular Name: (2R)-N1-cyclopentyl-N1-ethyl-N2-propyl-propane-1,2-diamine (2R)-N1-cyclopentyl-N1-ethyl-N2-…
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) | 3.11 | 8.13 | -104.75 | 3 | 2 | 2 | 21 | 214.397 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.11 | 5.33 | 0.1 | 1 | 2 | 0 | 15 | 212.381 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.11 | 6.88 | -29.76 | 2 | 2 | 1 | 16 | 213.389 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.11 | 6.42 | -31.91 | 2 | 2 | 1 | 20 | 213.389 | 7 | ↓ |