In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 18 | Yes |
Popular Name: 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]benzamidine 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexah…
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) | 1.11 | 4.48 | -31.47 | 4 | 4 | 1 | 64 | 246.334 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.11 | 4.55 | -5.16 | 3 | 4 | 0 | 62 | 245.326 | 2 | ↓ |