In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2011 | 18 | Yes |
Popular Name: 2-[(3S,6aS,10aR)-3-amino-2-oxo-3,4,5,6,6a,7,8,9,10,10a-decahydrobenzo[b]azocin-1-yl]acetic 2-[(3S,6aS,10aR)-3-amino-2-oxo-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) | -0.46 | 5.05 | -70.52 | 3 | 5 | 0 | 88 | 254.33 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.46 | 4.72 | -54.19 | 2 | 5 | -1 | 86 | 253.322 | 2 | ↓ |