In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2005 | 29 | 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) | 6.18 | 3.48 | -12.79 | 1 | 5 | 0 | 47 | 395.547 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.18 | 3.78 | -22.7 | 2 | 5 | 1 | 49 | 396.555 | 7 | ↓ |