In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 44 | No |
Popular Name: 1-[(1S,2R,4S,5R)-2,4-bis(2,4-diguanidinophenoxy)-5-guanidino-cyclohexyl]guanidine 1-[(1S,2R,4S,5R)-2,4-bis(2,4-dig…
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) | -2.66 | 4.83 | -349.01 | 29 | 20 | 5 | 399 | 615.732 | 16 | ↓ |
Hi High (pH 8-9.5) | -2.79 | 3.82 | -342.35 | 29 | 20 | 5 | 401 | 615.732 | 15 | ↓ |
Mid Mid (pH 6-8) | -2.66 | 4.21 | -468.75 | 30 | 20 | 6 | 400 | 616.74 | 16 | ↓ |