In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2011 | 17 | 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) | -0.47 | 7.09 | -131.72 | 0 | 5 | -2 | 89 | 256.641 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.47 | 5.34 | -46.61 | 1 | 5 | -1 | 87 | 257.649 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.47 | 5.09 | -54.63 | 1 | 5 | -1 | 87 | 257.649 | 5 | ↓ |