In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2006 | 23 | No |
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) | 3.77 | 7.5 | -12.88 | 2 | 5 | 0 | 70 | 302.337 | 2 | ↓ |
Hi High (pH 8-9.5) | 4.23 | 5.6 | -54.22 | 1 | 5 | -1 | 73 | 301.329 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.59 | 7.77 | -84.71 | 4 | 5 | 2 | 69 | 304.353 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.23 | 5.2 | -30.37 | 3 | 5 | 1 | 72 | 303.345 | 2 | ↓ |