In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 4th, 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) | 3.15 | 10.13 | -40.33 | 2 | 7 | 1 | 72 | 416.933 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 9.74 | -10.63 | 1 | 7 | 0 | 71 | 415.925 | 2 | ↓ |