In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 15 | 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) | -2.60 | -0.9 | -12.62 | 4 | 5 | 0 | 89 | 205.217 | 2 | ↓ |
Mid Mid (pH 6-8) | -2.60 | -0.6 | -49.86 | 5 | 5 | 1 | 91 | 206.225 | 2 | ↓ |
Lo Low (pH 4.5-6) | -2.60 | -0.6 | -46.05 | 5 | 5 | 1 | 91 | 206.225 | 2 | ↓ |