In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 10 | 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) | 0.87 | 2.35 | -36.98 | 2 | 2 | 1 | 20 | 143.254 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.87 | 0.91 | -1.11 | 1 | 2 | 0 | 15 | 142.246 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 4.77 | -102.76 | 3 | 2 | 2 | 21 | 144.262 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 3.33 | -28.5 | 2 | 2 | 1 | 16 | 143.254 | 5 | ↓ |