In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 17th, 2009 | 13 | 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) | 0.67 | 4.67 | -34.24 | 2 | 3 | 1 | 40 | 184.307 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.67 | 2.58 | -5.86 | 1 | 3 | 0 | 39 | 183.299 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.67 | 5.85 | -113.57 | 3 | 3 | 2 | 45 | 185.315 | 7 | ↓ |