In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2006 | 21 | No |
Popular Name: 9-(1-ethoxycarbonyl-2-sulfanyl-ethyl)amino-9-oxo-nonanoic 9-(1-ethoxycarbonyl-2-sulfanyl-e…
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) | 2.28 | 7.86 | -50.94 | 1 | 6 | -1 | 96 | 318.415 | 13 | ↓ |
Hi High (pH 8-9.5) | 2.28 | 8.4 | -102.99 | 1 | 6 | -2 | 96 | 317.407 | 13 | ↓ |
Lo Low (pH 4.5-6) | 2.28 | 5.88 | -12 | 2 | 6 | 0 | 93 | 319.423 | 13 | ↓ |