In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 20 | 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) | 2.96 | 5.51 | -11.25 | 2 | 4 | 0 | 62 | 264.284 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 6.99 | -41.69 | 2 | 4 | 0 | 66 | 264.284 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 6.52 | -52.67 | 1 | 4 | -1 | 65 | 263.276 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.96 | 5.98 | -44.39 | 3 | 4 | 1 | 63 | 265.292 | 2 | ↓ |