In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2009 | 27 | 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) | 2.78 | 8.88 | -80.98 | 4 | 6 | 2 | 61 | 367.497 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 6.3 | -10.72 | 2 | 6 | 0 | 59 | 365.481 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 8.67 | -47.39 | 3 | 6 | 1 | 60 | 366.489 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 6.51 | -26.39 | 3 | 6 | 1 | 60 | 366.489 | 4 | ↓ |