In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 16 | Yes |
Popular Name: N-[[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methyl]-N-ethyl-cyclopropanamine N-[[(2R,3aS,7aS)-2,3,3a,4,5,6,7,…
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) | 3.66 | 7.8 | -105.32 | 3 | 2 | 2 | 21 | 224.392 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 5.86 | -33.1 | 2 | 2 | 1 | 20 | 223.384 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 6.56 | -31.51 | 2 | 2 | 1 | 16 | 223.384 | 4 | ↓ |