In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 34 | 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) | 5.15 | 12.27 | -8.18 | 0 | 4 | 0 | 21 | 471.567 | 10 | ↓ |
Mid Mid (pH 6-8) | 5.15 | 13.93 | -49.68 | 1 | 4 | 1 | 22 | 472.575 | 10 | ↓ |
Mid Mid (pH 6-8) | 5.15 | 14.49 | -47.08 | 1 | 4 | 1 | 22 | 472.575 | 10 | ↓ |
Lo Low (pH 4.5-6) | 5.15 | 16.19 | -146.79 | 2 | 4 | 2 | 23 | 473.583 | 10 | ↓ |