In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2004 | 16 | 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) | 1.88 | 8.46 | -126.04 | 0 | 4 | -2 | 80 | 240.642 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.88 | 6.26 | -53.83 | 1 | 4 | -1 | 77 | 241.65 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.88 | 6.18 | -46.76 | 1 | 4 | -1 | 77 | 241.65 | 5 | ↓ |