In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 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) | 3.73 | 5.78 | -5.92 | 2 | 2 | 0 | 32 | 259.324 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.73 | 6.51 | -48.15 | 1 | 2 | -1 | 35 | 258.316 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.73 | 7.03 | -48.42 | 3 | 2 | 1 | 37 | 260.332 | 5 | ↓ |