In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 24 | 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) | 2.57 | 7.58 | -53.73 | 2 | 5 | 1 | 63 | 331.436 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 6.52 | -9.23 | 1 | 5 | 0 | 59 | 330.428 | 4 | ↓ |