In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 8th, 2010 | 28 | 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) | 4.93 | 13.72 | -36.82 | 1 | 2 | 1 | 8 | 369.532 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.93 | 11.5 | -3.93 | 0 | 2 | 0 | 6 | 368.524 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.93 | 13.18 | -33.78 | 1 | 2 | 1 | 8 | 369.532 | 3 | ↓ |