In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: (1R)-1-(1-adamantyl)-N'-ethyl-N'-[(1R)-1-methylpropyl]ethane-1,2-diamine (1R)-1-(1-adamantyl)-N'-ethyl-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) | 3.73 | 8.94 | -125.66 | 4 | 2 | 2 | 32 | 280.5 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.73 | 8.61 | -30.17 | 3 | 2 | 1 | 30 | 279.492 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.73 | 7.47 | -41.54 | 3 | 2 | 1 | 31 | 279.492 | 6 | ↓ |