In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 7th, 2010 | 15 | 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) | 1.63 | 4.2 | -39.81 | 3 | 2 | 1 | 31 | 225.381 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.63 | 4.03 | -1.49 | 2 | 2 | 0 | 29 | 224.373 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.63 | 5.78 | -110.21 | 4 | 2 | 2 | 32 | 226.389 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.63 | 5.52 | -30.91 | 3 | 2 | 1 | 30 | 225.381 | 3 | ↓ |