In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 32 | No |
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) | 1.53 | 6.13 | -53.22 | 1 | 9 | -1 | 116 | 436.444 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.53 | 4.99 | -22.74 | 2 | 9 | 0 | 114 | 437.452 | 7 | ↓ |