In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2009 | 36 | No |
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) | 1.86 | 13.32 | -46.77 | 2 | 7 | 0 | 103 | 480.52 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.86 | 12.43 | -58.73 | 1 | 7 | -1 | 99 | 479.512 | 7 | ↓ |