In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 12th, 2006 | 29 | 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) | 2.75 | -0.31 | -49.25 | 3 | 6 | 1 | 82 | 395.479 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.20 | -0.63 | -57.91 | 3 | 6 | 1 | 82 | 395.479 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.17 | -0.45 | -59.2 | 2 | 6 | 1 | 79 | 395.479 | 6 | ↓ |