In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 11 | 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) | 1.40 | 3.17 | -32.68 | 2 | 2 | 1 | 20 | 157.281 | 0 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 2.23 | -0.64 | 1 | 2 | 0 | 15 | 156.273 | 0 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 3.19 | -30.3 | 2 | 2 | 1 | 16 | 157.281 | 0 | ↓ |
Lo Low (pH 4.5-6) | 1.40 | 4.44 | -100.9 | 3 | 2 | 2 | 21 | 158.289 | 0 | ↓ |