In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 15th, 2005 | 30 | 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) | 3.70 | 0.37 | -59.86 | 2 | 5 | 1 | 51 | 401.465 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.70 | 0.52 | -116.44 | 3 | 5 | 2 | 52 | 402.473 | 4 | ↓ |