In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 22 | 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) | 3.14 | 5.01 | -54.44 | 0 | 5 | -1 | 62 | 304.366 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.14 | 7.32 | -68.19 | 1 | 5 | 0 | 63 | 305.374 | 4 | ↓ |