In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 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) | 0.71 | 6.55 | -111.24 | 4 | 4 | 2 | 59 | 246.358 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.71 | 3.97 | -6.82 | 2 | 4 | 0 | 56 | 244.342 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.71 | 4.34 | -46.83 | 3 | 4 | 1 | 58 | 245.35 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.71 | 6.17 | -39.14 | 3 | 4 | 1 | 57 | 245.35 | 4 | ↓ |