In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 15 | 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) | 3.66 | 7.12 | -32.13 | 2 | 2 | 1 | 20 | 215.405 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 7.62 | -30.82 | 2 | 2 | 1 | 16 | 215.405 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.66 | 8.81 | -107.94 | 3 | 2 | 2 | 21 | 216.413 | 10 | ↓ |