In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | 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) | 0.94 | 9.05 | -73.16 | 1 | 5 | 0 | 65 | 280.368 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.94 | 6.81 | -59.08 | 0 | 5 | -1 | 64 | 279.36 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.94 | 6.93 | -48.61 | 2 | 5 | 1 | 62 | 281.376 | 3 | ↓ |