In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 7th, 2010 | 27 | No |
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) | 0.62 | 5.87 | -193.02 | 7 | 10 | 3 | 149 | 382.489 | 14 | ↓ |
Hi High (pH 8-9.5) | 0.62 | 5.49 | -114.03 | 6 | 10 | 2 | 147 | 381.481 | 14 | ↓ |
Hi High (pH 8-9.5) | 0.62 | 4.53 | -104.58 | 6 | 10 | 2 | 144 | 381.481 | 14 | ↓ |