In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 7th, 2009 | 21 | 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) | 3.72 | 7.04 | -18.72 | 1 | 4 | 0 | 60 | 302.713 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.72 | 7.83 | -46.21 | 0 | 4 | -1 | 63 | 301.705 | 3 | ↓ |