In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2009 | 18 | 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) | 0.89 | 3.32 | -7.32 | 0 | 4 | 0 | 27 | 253.39 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.89 | 5.61 | -43.72 | 1 | 4 | 1 | 28 | 254.398 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.89 | 5.55 | -44.82 | 1 | 4 | 1 | 28 | 254.398 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.89 | 7.83 | -114.67 | 2 | 4 | 2 | 29 | 255.406 | 3 | ↓ |