In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 18 | Yes |
None
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) | 3.00 | 4.86 | -46.69 | 0 | 4 | -1 | 61 | 326.195 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 5.24 | -10.82 | 1 | 4 | 0 | 59 | 327.203 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.18 | 5.31 | -12.65 | 1 | 4 | 0 | 62 | 327.203 | 2 | ↓ |