In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2005 | 18 | 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) | 2.00 | 6.12 | -10.93 | 1 | 4 | 0 | 47 | 243.31 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 4.19 | -25.84 | 2 | 4 | 1 | 52 | 244.318 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.00 | 6.56 | -30.19 | 2 | 4 | 1 | 48 | 244.318 | 5 | ↓ |