In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 29th, 2005 | 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) | 2.30 | 9.54 | -51.62 | 2 | 6 | 1 | 63 | 394.495 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 7.26 | -13.45 | 1 | 6 | 0 | 62 | 393.487 | 7 | ↓ |