In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2007 | 29 | No |
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) | 1.77 | 6.77 | -56.37 | 0 | 7 | -1 | 92 | 393.419 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.22 | -0.13 | -51.17 | 2 | 7 | 1 | 90 | 395.435 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.19 | -0.28 | -45.17 | 1 | 7 | 1 | 87 | 395.435 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.77 | 5.95 | -14.61 | 1 | 7 | 0 | 89 | 394.427 | 9 | ↓ |