In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 18 | 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) | 3.43 | 8.45 | -34.55 | 1 | 2 | 1 | 8 | 267.824 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.43 | 8.73 | -38.65 | 1 | 2 | 1 | 8 | 267.824 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.43 | 6.48 | -1.9 | 0 | 2 | 0 | 6 | 266.816 | 4 | ↓ |