In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 20 | 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) | 2.72 | 7.58 | -40.59 | 2 | 4 | 0 | 66 | 272.348 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.72 | 7.1 | -54.08 | 1 | 4 | -1 | 65 | 271.34 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.72 | 6.09 | -9.2 | 2 | 4 | 0 | 62 | 272.348 | 2 | ↓ |