In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | Yes |
Popular Name: (1R,2R)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]indan-1-amine (1R,2R)-2-[(4aS,7aS)-3,4a,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) | 0.16 | 3.12 | -46.33 | 3 | 3 | 1 | 40 | 259.373 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.16 | 2.82 | -3.03 | 2 | 3 | 0 | 38 | 258.365 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.16 | 5.27 | -119.02 | 4 | 3 | 2 | 41 | 260.381 | 1 | ↓ |