In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 12 | 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) | 1.42 | 4.33 | -33.8 | 2 | 2 | 1 | 20 | 171.308 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 6.33 | -108.17 | 3 | 2 | 2 | 21 | 172.316 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 5.08 | -28.31 | 2 | 2 | 1 | 16 | 171.308 | 4 | ↓ |