In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 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) | 1.68 | 4.58 | -14.93 | 2 | 9 | 0 | 120 | 493.298 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.13 | 2.75 | -66.27 | 1 | 9 | -1 | 123 | 492.29 | 7 | ↓ |