In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 15 | 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) | 0.18 | 1.43 | -41.5 | 3 | 4 | 1 | 51 | 214.333 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.18 | 1.12 | -5.6 | 2 | 4 | 0 | 50 | 213.325 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.18 | 3.66 | -98.26 | 4 | 4 | 2 | 52 | 215.341 | 4 | ↓ |