In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2009 | 27 | 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) | 3.64 | 3.71 | -55.93 | 1 | 7 | -1 | 99 | 362.413 | 3 | ↓ |
Ref Reference (pH 7) | 3.46 | 6.4 | -53.21 | 1 | 7 | -1 | 96 | 362.413 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 5.59 | -13.52 | 2 | 7 | 0 | 96 | 363.421 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.00 | 8.22 | -14.39 | 2 | 7 | 0 | 93 | 363.421 | 3 | ↓ |