In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2007 | 28 | Yes |
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) | 2.86 | -2.55 | -16.7 | 0 | 6 | 0 | 69 | 392.484 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.86 | -2.51 | -36.33 | 1 | 6 | 1 | 71 | 393.492 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.86 | -2.44 | -51.82 | 1 | 6 | 1 | 71 | 393.492 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.86 | -2.4 | -83.35 | 2 | 6 | 2 | 72 | 394.5 | 2 | ↓ |