In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 14 | 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) | 0.15 | 0.05 | -49.63 | 4 | 4 | 1 | 60 | 202.322 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.15 | 2.01 | -38.74 | 4 | 4 | 1 | 60 | 202.322 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.15 | 2.39 | -108.03 | 5 | 4 | 2 | 61 | 203.33 | 7 | ↓ |