In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2004 | 27 | 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) | 3.44 | -2.91 | -13.49 | 2 | 6 | 0 | 68 | 367.449 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.44 | -2.7 | -31.12 | 3 | 6 | 1 | 69 | 368.457 | 6 | ↓ |