In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 18 | Yes |
Popular Name: (1R)-1-(1-adamantyl)-N'-methyl-N'-propyl-ethane-1,2-diamine (1R)-1-(1-adamantyl)-N'-methyl-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) | 3.02 | 7.96 | -130.94 | 4 | 2 | 2 | 32 | 252.446 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.02 | 7.67 | -36.29 | 3 | 2 | 1 | 30 | 251.438 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.02 | 5.99 | -40.73 | 3 | 2 | 1 | 31 | 251.438 | 5 | ↓ |