In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 19 | Yes |
Popular Name: (1S)-1-(1-adamantyl)-N'-ethyl-N'-isopropyl-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) | 3.19 | 8.14 | -126.94 | 4 | 2 | 2 | 32 | 266.473 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.19 | 8.15 | -30.93 | 3 | 2 | 1 | 30 | 265.465 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.19 | 6.44 | -40.9 | 3 | 2 | 1 | 31 | 265.465 | 5 | ↓ |