In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2010 | 21 | 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) | 2.02 | 5.95 | -108.06 | 1 | 5 | -2 | 100 | 294.347 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.02 | 4.1 | -47.65 | 2 | 5 | -1 | 98 | 295.355 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.02 | 3.96 | -46.75 | 2 | 5 | -1 | 98 | 295.355 | 3 | ↓ |