In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 29 | No |
None
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) | 2.33 | 4.24 | -16.21 | 2 | 6 | 0 | 87 | 403.381 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 4.91 | -24.27 | 1 | 6 | 0 | 84 | 403.381 | 7 | ↓ |