In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2008 | 27 | No |
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) | -5.01 | -1.65 | -100.16 | 7 | 11 | 1 | 187 | 399.453 | 7 | ↓ |
Lo Low (pH 4.5-6) | -5.01 | -1.4 | -142.21 | 8 | 11 | 2 | 188 | 400.461 | 7 | ↓ |
Lo Low (pH 4.5-6) | -5.01 | -5.8 | -137.18 | 8 | 11 | 2 | 188 | 400.461 | 7 | ↓ |