In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 34 | 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) | 2.26 | 9.03 | -25.73 | 2 | 10 | 0 | 124 | 503.654 | 11 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 7.48 | -57.85 | 1 | 10 | -1 | 130 | 502.646 | 11 | ↓ |