In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 7th, 2010 | 29 | No |
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) | 5.04 | 7.73 | -47.39 | 4 | 4 | 1 | 65 | 388.487 | 3 | ↓ |
Mid Mid (pH 6-8) | 5.04 | 5.53 | -10.94 | 3 | 4 | 0 | 64 | 387.479 | 3 | ↓ |