In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 24th, 2009 | 31 | Yes |
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) | 2.56 | 9.35 | -84.37 | 3 | 7 | 2 | 57 | 424.593 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.56 | 4.53 | -10.52 | 1 | 7 | 0 | 55 | 422.577 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.56 | 6.97 | -42.86 | 2 | 7 | 1 | 56 | 423.585 | 6 | ↓ |