In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 21 | Yes |
Popular Name: (1S)-N'-cyclopentyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-ethane-1,2-diamine (1S)-N'-cyclopentyl-1-(2,3-dihyd…
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) | 0.74 | 6.71 | -37.57 | 3 | 4 | 1 | 49 | 291.415 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.74 | 7.05 | -126.51 | 4 | 4 | 2 | 51 | 292.423 | 5 | ↓ |