In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 13 | 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) | -3.11 | 1.51 | -75.07 | 4 | 5 | 1 | 75 | 188.251 | 3 | ↓ |
Hi High (pH 8-9.5) | -3.11 | -1.23 | -43.71 | 2 | 5 | -1 | 73 | 186.235 | 3 | ↓ |
Mid Mid (pH 6-8) | -3.11 | -0.85 | -33.63 | 3 | 5 | 0 | 74 | 187.243 | 3 | ↓ |