In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2009 | 21 | 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) | 2.91 | 2.43 | -50.96 | 2 | 5 | -1 | 91 | 388.65 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 2.37 | -19.13 | 3 | 5 | 0 | 89 | 389.658 | 4 | ↓ |