In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 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) | 1.12 | 3.15 | -36.42 | 2 | 3 | 1 | 29 | 201.334 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.12 | 1.92 | -2.12 | 1 | 3 | 0 | 24 | 200.326 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.12 | 3.76 | -34.37 | 2 | 3 | 1 | 26 | 201.334 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.12 | 4.98 | -109.54 | 3 | 3 | 2 | 30 | 202.342 | 5 | ↓ |