In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 18 | 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) | 3.01 | 6.31 | -7.07 | 1 | 3 | 0 | 45 | 244.338 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 7.57 | -53.31 | 2 | 3 | 1 | 50 | 245.346 | 5 | ↓ |