In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 24 | 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) | 1.32 | 8.72 | -43.29 | 2 | 5 | 1 | 50 | 368.548 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.32 | 6.36 | -10.29 | 1 | 5 | 0 | 49 | 367.54 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.32 | 7.55 | -33.34 | 2 | 5 | 1 | 50 | 368.548 | 2 | ↓ |