In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2009 | 29 | 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) | 3.06 | 9.97 | -42.85 | 2 | 6 | 1 | 53 | 399.511 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.06 | 10.26 | -139.99 | 3 | 6 | 2 | 58 | 400.519 | 8 | ↓ |