In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 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) | 3.37 | 12.85 | -62.13 | 1 | 5 | 1 | 63 | 381.525 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.37 | 10.68 | -19.23 | 0 | 5 | 0 | 62 | 380.517 | 6 | ↓ |