In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 29 | 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) | 3.76 | 10.33 | -14.96 | 1 | 6 | 0 | 67 | 398.551 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.76 | 11.21 | -34.29 | 2 | 6 | 1 | 68 | 399.559 | 7 | ↓ |