In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 31 | 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) | 1.55 | 5.95 | -17.07 | 0 | 8 | 0 | 87 | 447.557 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.55 | 8.28 | -70.22 | 1 | 8 | 1 | 88 | 448.565 | 4 | ↓ |