In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 26 | 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) | 2.58 | 11.83 | -114.69 | 3 | 5 | 2 | 42 | 359.493 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.58 | 9.6 | -41.99 | 2 | 5 | 1 | 41 | 358.485 | 6 | ↓ |