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) | 3.02 | 5.88 | -29.02 | 3 | 3 | 1 | 40 | 305.895 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.02 | 4.33 | -1.68 | 2 | 3 | 0 | 38 | 304.887 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 4.65 | -43.99 | 3 | 3 | 1 | 40 | 305.895 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 6.2 | -107.96 | 4 | 3 | 2 | 41 | 306.903 | 8 | ↓ |