In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 28 | 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) | 4.13 | 12.02 | -59.59 | 2 | 4 | 1 | 54 | 383.487 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.13 | 9.77 | -16.11 | 1 | 4 | 0 | 53 | 382.479 | 5 | ↓ |