In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 14 | No |
Popular Name: N-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-4,5-dihydrothiazol-2-amine N-[(1R,8R)-2,3,5,6,7,8-hexahydro…
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) | 0.93 | 5.6 | -83.88 | 3 | 3 | 2 | 30 | 213.35 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 3.12 | -27.68 | 2 | 3 | 1 | 29 | 212.342 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 3.08 | -28.36 | 2 | 3 | 1 | 29 | 212.342 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.