In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 17th, 2009 | 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) | 0.20 | 0.34 | -32.85 | 4 | 4 | 1 | 60 | 200.306 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.20 | -0.63 | -45.45 | 4 | 4 | 1 | 63 | 200.306 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.20 | 1.6 | -104.04 | 5 | 4 | 2 | 64 | 201.314 | 4 | ↓ |