In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | 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) | 0.74 | 3.49 | -106.99 | 5 | 6 | 2 | 83 | 294.399 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.74 | 2.95 | -61.74 | 4 | 6 | 1 | 82 | 293.391 | 7 | ↓ |