In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 12 | Yes |
Popular Name: (2S)-N'-[(1S)-1-cyclopropylethyl]-N',2-dimethyl-propane-1,3-diamine (2S)-N'-[(1S)-1-cyclopropylethyl…
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) | 1.09 | 4.62 | -100.14 | 4 | 2 | 2 | 32 | 172.316 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.09 | 2.82 | -38.99 | 3 | 2 | 1 | 31 | 171.308 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.09 | 4.24 | -30.55 | 3 | 2 | 1 | 30 | 171.308 | 5 | ↓ |