In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 34 | 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) | 3.92 | 7.62 | -18.36 | 2 | 7 | 0 | 78 | 484.959 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.92 | 9.88 | -56.73 | 3 | 7 | 1 | 79 | 485.967 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.92 | 10.19 | -114.16 | 4 | 7 | 2 | 80 | 486.975 | 8 | ↓ |