In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 18 | Yes |
Popular Name: (5S,6S)-5-amino-6-(5-bromo-2-furyl)-1-tert-butyl-piperidin-2-one (5S,6S)-5-amino-6-(5-bromo-2-fur…
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) | 1.89 | 4.03 | -59.18 | 3 | 4 | 1 | 61 | 316.219 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 3.73 | -6.5 | 2 | 4 | 0 | 59 | 315.211 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.