In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 17 | 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) | 1.88 | 5.03 | -100.75 | 4 | 3 | 2 | 35 | 241.423 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 2.72 | -39.89 | 3 | 3 | 1 | 34 | 240.415 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.88 | 4.58 | -123.7 | 4 | 3 | 2 | 35 | 241.423 | 2 | ↓ |