In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 23 | 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) | 4.22 | 7.98 | -37.42 | 2 | 3 | 1 | 28 | 311.449 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.22 | 8.12 | -35.52 | 2 | 3 | 1 | 28 | 311.449 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.22 | 5.67 | -6.98 | 1 | 3 | 0 | 27 | 310.441 | 5 | ↓ |