In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 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) | 1.40 | 4.05 | -36.39 | 2 | 2 | 1 | 20 | 171.308 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 2.7 | -0.75 | 1 | 2 | 0 | 15 | 170.3 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 6.37 | -105.21 | 3 | 2 | 2 | 21 | 172.316 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 5.01 | -29.14 | 2 | 2 | 1 | 16 | 171.308 | 7 | ↓ |