In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 12 | 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) | 1.42 | 3.29 | -38.6 | 2 | 2 | 1 | 20 | 171.308 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.42 | 4.32 | -29.21 | 2 | 2 | 1 | 16 | 171.308 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 5.66 | -105.99 | 3 | 2 | 2 | 21 | 172.316 | 5 | ↓ |