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) | 3.55 | 0.02 | -16.07 | 1 | 6 | 0 | 57 | 367.449 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.55 | 0.2 | -27.3 | 2 | 6 | 1 | 58 | 368.457 | 6 | ↓ |