In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 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) | 1.55 | 3.74 | -37.86 | 2 | 2 | 1 | 20 | 171.308 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.55 | 5.14 | -27.72 | 2 | 2 | 1 | 16 | 171.308 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.55 | 6.08 | -106.04 | 3 | 2 | 2 | 21 | 172.316 | 4 | ↓ |