In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 17 | No |
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) | 1.93 | 5.53 | -52.75 | 1 | 3 | -1 | 42 | 243.311 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.93 | 5 | -8.39 | 1 | 3 | 0 | 42 | 244.319 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.93 | 5.99 | -47 | 2 | 3 | 0 | 43 | 244.319 | 3 | ↓ |