In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 17 | Yes |
Popular Name: (1S)-1-(1-adamantyl)-N'-ethyl-N'-methyl-ethane-1,2-diamine (1S)-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) | 2.52 | 7.21 | -128.55 | 4 | 2 | 2 | 32 | 238.419 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 6.81 | -32.17 | 3 | 2 | 1 | 30 | 237.411 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 5.24 | -40.34 | 3 | 2 | 1 | 31 | 237.411 | 4 | ↓ |