In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 20 | Yes |
Popular Name: N'-[(2R,4aS,8aR)-decalin-2-yl]-N,N-diisopropyl-ethane-1,2-diamine N'-[(2R,4aS,8aR)-decalin-2-yl]-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) | 4.29 | 7.58 | -40.63 | 2 | 2 | 1 | 20 | 281.508 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.29 | 8.67 | -28.59 | 2 | 2 | 1 | 16 | 281.508 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.29 | 9.84 | -114.42 | 3 | 2 | 2 | 21 | 282.516 | 6 | ↓ |