In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2011 | 27 | 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) | 2.90 | 5.82 | -269.85 | 9 | 5 | 4 | 78 | 385.685 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 3.56 | -79.91 | 7 | 5 | 2 | 69 | 383.669 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.90 | 5.65 | -254.8 | 9 | 5 | 4 | 78 | 385.685 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.90 | 7 | -423.66 | 10 | 5 | 5 | 83 | 386.693 | 8 | ↓ |