In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 19 | 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) | 1.57 | 5.02 | -37.65 | 3 | 4 | 1 | 43 | 264.393 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.57 | 2.55 | -5.48 | 2 | 4 | 0 | 42 | 263.385 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.57 | 4.53 | -36.67 | 3 | 4 | 1 | 43 | 264.393 | 5 | ↓ |