In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 15 | Yes |
Popular Name: (4aS,7aS)-4-[(3R)-3-piperidyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (4aS,7aS)-4-[(3R)-3-piperidyl]-3…
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) | 0.90 | 0.78 | -2.21 | 1 | 3 | 0 | 24 | 210.321 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.90 | 2.1 | -40.2 | 2 | 3 | 1 | 29 | 211.329 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.90 | 4.27 | -106.84 | 3 | 3 | 2 | 30 | 212.337 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.90 | 2.95 | -30.58 | 2 | 3 | 1 | 26 | 211.329 | 1 | ↓ |