In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 17 | 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) | 3.45 | 5.23 | -48.97 | 3 | 3 | 1 | 46 | 303.22 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.45 | 5.99 | -63.46 | 2 | 3 | 0 | 49 | 302.212 | 6 | ↓ |