In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 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) | 1.40 | 5.42 | -106.79 | 3 | 2 | 2 | 21 | 158.289 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 3.52 | -30.37 | 2 | 2 | 1 | 20 | 157.281 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 4.15 | -31.27 | 2 | 2 | 1 | 16 | 157.281 | 3 | ↓ |