In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2008 | 27 | 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) | 2.88 | 5.92 | -10.45 | 1 | 6 | 0 | 108 | 359.433 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.88 | 7.24 | -113.26 | 3 | 6 | 2 | 111 | 361.449 | 3 | ↓ |