In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 25 | 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) | 1.81 | 5.99 | -16.07 | 1 | 6 | 0 | 59 | 342.443 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.81 | 6.11 | -39.43 | 2 | 6 | 1 | 61 | 343.451 | 7 | ↓ |