In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 9 | 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) | 0.43 | 1.22 | -35.59 | 3 | 2 | 1 | 31 | 131.243 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.43 | 3.19 | -111.75 | 4 | 2 | 2 | 32 | 132.251 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.43 | 2.79 | -28.42 | 3 | 2 | 1 | 30 | 131.243 | 4 | ↓ |