In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 19 | No |
Popular Name: N1-[(2-chloro-5-nitro-phenyl)methyl]-N2,N2,2-trimethyl-propane-1,2-diamine N1-[(2-chloro-5-nitro-phenyl)met…
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) | 2.90 | 7.57 | -34.38 | 2 | 5 | 1 | 62 | 286.783 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 6.71 | -42.59 | 2 | 5 | 1 | 66 | 286.783 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 5.63 | -4.26 | 1 | 5 | 0 | 61 | 285.775 | 6 | ↓ |