In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2008 | 19 | 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) | 1.44 | 6.09 | -36.57 | 1 | 4 | 1 | 38 | 259.329 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.44 | 5.95 | -39.76 | 1 | 4 | 1 | 38 | 259.329 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.44 | 3.63 | -11.07 | 0 | 4 | 0 | 37 | 258.321 | 2 | ↓ |