In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 25th, 2010 | 18 | 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) | -0.28 | 0.54 | -8.08 | 1 | 5 | 0 | 45 | 253.346 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.28 | 1.83 | -50.45 | 2 | 5 | 1 | 49 | 254.354 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.28 | 3.82 | -100.94 | 3 | 5 | 2 | 51 | 255.362 | 2 | ↓ |