In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2008 | 22 | 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) | 0.08 | 0.97 | -12.2 | 3 | 9 | 0 | 118 | 307.31 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.08 | 1.23 | -32.63 | 4 | 9 | 1 | 119 | 308.318 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.08 | -3.19 | -30.82 | 4 | 9 | 1 | 119 | 308.318 | 2 | ↓ |