In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 11 | 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) | 0.76 | 2.11 | -39.62 | 3 | 2 | 1 | 31 | 157.281 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.76 | 4.26 | -111.58 | 4 | 2 | 2 | 32 | 158.289 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.76 | 3.64 | -25.37 | 3 | 2 | 1 | 30 | 157.281 | 5 | ↓ |