In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 21 | 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) | 3.91 | 10.29 | -34.8 | 1 | 2 | 1 | 8 | 283.439 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.91 | 10.4 | -36.35 | 1 | 2 | 1 | 8 | 283.439 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.91 | 8.3 | -3.18 | 0 | 2 | 0 | 6 | 282.431 | 4 | ↓ |