In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2010 | 15 | 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) | 1.71 | 0.88 | -4.18 | 4 | 3 | 0 | 58 | 206.289 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.71 | 0.74 | -41.29 | 5 | 3 | 1 | 60 | 207.297 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.71 | 1.42 | -28.44 | 5 | 3 | 1 | 63 | 207.297 | 3 | ↓ |