In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 29 | 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) | 3.12 | 2.57 | -52.14 | 1 | 7 | -1 | 99 | 406.319 | 3 | ↓ |
Ref Reference (pH 7) | 2.93 | 5.31 | -47.23 | 1 | 7 | -1 | 96 | 406.319 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.66 | 4.45 | -12.27 | 2 | 7 | 0 | 96 | 407.327 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.48 | 7.13 | -11.81 | 2 | 7 | 0 | 93 | 407.327 | 3 | ↓ |