In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 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) | 0.59 | 2.93 | -40.25 | 4 | 5 | 1 | 67 | 251.354 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.59 | 0.72 | -7.4 | 3 | 5 | 0 | 66 | 250.346 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.59 | 3.23 | -91.44 | 5 | 5 | 2 | 68 | 252.362 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.59 | 1.02 | -28.81 | 4 | 5 | 1 | 67 | 251.354 | 5 | ↓ |