In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2004 | 21 | No |
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) | 3.25 | 8.01 | -35.27 | 0 | 3 | -1 | 57 | 409.887 | 0 | ↓ |
Mid Mid (pH 6-8) | 3.25 | -0.49 | -24.27 | 1 | 3 | 0 | 54 | 410.895 | 1 | ↓ |