In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 21 | 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) | -0.21 | 8.61 | -44.65 | 3 | 4 | 0 | 71 | 284.359 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.21 | 6.66 | -49.16 | 2 | 4 | -1 | 69 | 283.351 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.21 | 7.08 | -32.08 | 3 | 4 | 0 | 71 | 284.359 | 7 | ↓ |
Lo Low (pH 4.5-6) | -0.21 | 8.95 | -82.98 | 4 | 4 | 1 | 72 | 285.367 | 7 | ↓ |