In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2007 | 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) | 2.05 | -2.6 | -25.53 | 1 | 8 | 0 | 93 | 496.614 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.05 | -2.11 | -60.86 | 0 | 8 | -1 | 95 | 495.606 | 7 | ↓ |