In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 23 | 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) | 1.57 | 5.94 | -40.04 | 0 | 7 | -1 | 93 | 329.361 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.06 | 7.21 | -23.91 | 1 | 7 | 0 | 90 | 330.369 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.06 | 7.66 | -48.71 | 2 | 7 | 1 | 91 | 331.377 | 4 | ↓ |