In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 27 | 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) | 1.50 | 5.76 | -44.55 | 2 | 7 | 1 | 66 | 389.549 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.50 | 5.64 | -47.78 | 2 | 7 | 1 | 66 | 389.549 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.50 | 3.38 | -12.81 | 1 | 7 | 0 | 65 | 388.541 | 5 | ↓ |