In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2006 | 31 | Yes |
None
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) | 4.09 | 5.78 | -14.15 | 3 | 7 | 0 | 99 | 421.497 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.09 | 6.55 | -54.73 | 2 | 7 | -1 | 102 | 420.489 | 9 | ↓ |