In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 19 | 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) | 2.84 | 6.52 | -33.13 | 3 | 3 | 1 | 40 | 348.33 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.84 | 4.13 | -2.97 | 2 | 3 | 0 | 38 | 347.322 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 6.92 | -114.5 | 4 | 3 | 2 | 41 | 349.338 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 4.85 | -35.24 | 3 | 3 | 1 | 40 | 348.33 | 5 | ↓ |