In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2011 | 13 | 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) | 0.42 | 1.43 | -38.65 | 2 | 3 | 1 | 29 | 187.307 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.42 | 0.29 | -2.54 | 1 | 3 | 0 | 24 | 186.299 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.42 | 2.57 | -33.04 | 2 | 3 | 1 | 26 | 187.307 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.42 | 3.91 | -106.7 | 3 | 3 | 2 | 30 | 188.315 | 5 | ↓ |