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) | 3.80 | 5.52 | -14.06 | 3 | 7 | 0 | 99 | 421.497 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.80 | 6.29 | -54.6 | 2 | 7 | -1 | 102 | 420.489 | 8 | ↓ |