In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2005 | 37 | Yes |
Popular Name: Cc1ccccc1CN2CCC(CC2)Nc3c4c(nc(n3)NC5CCC(CC5)N)n(cn4)C6CCCC6 Cc1ccccc1CN2CCC(CC2)Nc3c4c(nc(n3…
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) | 4.69 | 16.38 | -99.08 | 6 | 8 | 2 | 100 | 504.727 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.69 | 16.61 | -174.39 | 7 | 8 | 3 | 101 | 505.735 | 7 | ↓ |