In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 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) | 0.27 | 4.26 | -67.42 | 2 | 7 | 0 | 96 | 313.379 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.27 | 1.84 | -51.53 | 1 | 7 | -1 | 94 | 312.371 | 4 | ↓ |