In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2011 | 17 | Yes |
Popular Name: (4S)-N4-(2-aminoethyl)-N3,N3,3-triethyl-hexane-3,4-diamine (4S)-N4-(2-aminoethyl)-N3,N3,3-t…
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) | 2.36 | 5.01 | -87.95 | 5 | 3 | 2 | 44 | 245.455 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.36 | 5.43 | -205.72 | 6 | 3 | 3 | 49 | 246.463 | 10 | ↓ |