In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2010 | 14 | 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) | 0.87 | 4.66 | -109.85 | 5 | 2 | 2 | 44 | 192.306 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.87 | 4.28 | -38.85 | 4 | 2 | 1 | 43 | 191.298 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 3.36 | -42.56 | 4 | 2 | 1 | 40 | 191.298 | 5 | ↓ |