In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 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) | 1.06 | 4.71 | -84.36 | 3 | 3 | 2 | 24 | 213.369 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.06 | 2.43 | -36.08 | 2 | 3 | 1 | 23 | 212.361 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.06 | 4.71 | -104.38 | 3 | 3 | 2 | 24 | 213.369 | 4 | ↓ |