In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 14 | Yes |
None
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) | 1.41 | 5.69 | -35.02 | 1 | 3 | 1 | 21 | 192.286 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.41 | 3.31 | -4.8 | 0 | 3 | 0 | 19 | 191.278 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.41 | 3.59 | -29.41 | 1 | 3 | 1 | 21 | 192.286 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.41 | 5.97 | -89.4 | 2 | 3 | 2 | 22 | 193.294 | 2 | ↓ |