In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 14 | 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) | 2.36 | 5.66 | -101.09 | 4 | 2 | 2 | 32 | 202.386 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 5.28 | -29.06 | 3 | 2 | 1 | 30 | 201.378 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.36 | 4.09 | -40.06 | 3 | 2 | 1 | 31 | 201.378 | 8 | ↓ |