In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 27 | 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) | 3.40 | 7.86 | -40.97 | 2 | 4 | 1 | 37 | 385.553 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 5.59 | -7.15 | 1 | 4 | 0 | 36 | 384.545 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 7.09 | -36.95 | 2 | 4 | 1 | 37 | 385.553 | 5 | ↓ |