In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2005 | 24 | 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) | 4.13 | 8.95 | -45.14 | 2 | 3 | 1 | 28 | 323.46 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.13 | 6.69 | -6.62 | 1 | 3 | 0 | 27 | 322.452 | 2 | ↓ |