In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 16 | 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) | 0.35 | 4.21 | -47.77 | 0 | 5 | -1 | 64 | 227.284 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.35 | 6.56 | -74.04 | 1 | 5 | 0 | 65 | 228.292 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.35 | 4.59 | -46.09 | 2 | 5 | 1 | 62 | 229.3 | 5 | ↓ |