In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2009 | 9 | 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) | 0.19 | 0.31 | -38.5 | 2 | 2 | 1 | 20 | 127.211 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.19 | 1.09 | -33.42 | 2 | 2 | 1 | 16 | 127.211 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.19 | 2.84 | -95.04 | 3 | 2 | 2 | 21 | 128.219 | 0 | ↓ |