In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 15 | Yes |
Popular Name: (1S,2S)-N1-cyclopropyl-N1-ethyl-cyclooctane-1,2-diamine (1S,2S)-N1-cyclopropyl-N1-ethyl-…
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) | 2.36 | 6.45 | -113.67 | 4 | 2 | 2 | 32 | 212.381 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 6.15 | -25.72 | 3 | 2 | 1 | 30 | 211.373 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 4.74 | -37.23 | 3 | 2 | 1 | 31 | 211.373 | 3 | ↓ |