In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2009 | 20 | 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) | 2.04 | 6.22 | -8.22 | 0 | 5 | 0 | 47 | 271.32 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 6.67 | -32.25 | 1 | 5 | 1 | 49 | 272.328 | 1 | ↓ |