In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2010 | 15 | 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) | 1.30 | 3.37 | -41.06 | 3 | 3 | 1 | 44 | 209.313 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.30 | 5.07 | -108.24 | 4 | 3 | 2 | 45 | 210.321 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.30 | 4.8 | -30.42 | 3 | 3 | 1 | 44 | 209.313 | 3 | ↓ |