In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 19 | 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) | 3.73 | 6.03 | -49.17 | 3 | 2 | 1 | 31 | 344.342 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.73 | 7.5 | -30.64 | 3 | 2 | 1 | 30 | 344.342 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.73 | 7.86 | -133.27 | 4 | 2 | 2 | 32 | 345.35 | 3 | ↓ |