In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 21 | Yes |
Popular Name: (1R)-N'-cyclopentyl-N'-ethyl-1-(4-isopropoxyphenyl)ethane-1,2-diamine (1R)-N'-cyclopentyl-N'-ethyl-1-(…
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) | 2.03 | 8.78 | -124.31 | 4 | 3 | 2 | 41 | 292.467 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.03 | 6.71 | -43.9 | 3 | 3 | 1 | 40 | 291.459 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 8.71 | -33.39 | 3 | 3 | 1 | 40 | 291.459 | 7 | ↓ |