In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 11th, 2010 | 19 | 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) | 3.23 | 10.37 | -85.6 | 2 | 3 | 2 | 22 | 257.381 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.23 | 8.03 | -7.29 | 0 | 3 | 0 | 19 | 255.365 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 10.03 | -42.04 | 1 | 3 | 1 | 21 | 256.373 | 1 | ↓ |