In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 15 | Yes |
None
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) | 1.76 | 6.86 | -120.14 | 4 | 2 | 2 | 32 | 208.349 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 4.62 | -39.97 | 3 | 2 | 1 | 31 | 207.341 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.76 | 6.75 | -31.21 | 3 | 2 | 1 | 30 | 207.341 | 6 | ↓ |