In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2010 | 15 | 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) | 0.47 | 6.85 | -100.26 | 3 | 4 | 1 | 61 | 215.317 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.47 | 5.51 | -60.7 | 2 | 4 | 0 | 57 | 214.309 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.47 | 4.63 | -49.33 | 2 | 4 | 0 | 60 | 214.309 | 7 | ↓ |