In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 16 | Yes |
Popular Name: (1S)-1-cyclopropyl-N-(2-dimethylaminoethyl)-N-isobutyl-ethane-1,2-diamine (1S)-1-cyclopropyl-N-(2-dimethyl…
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) | 1.16 | 5.37 | -105.63 | 4 | 3 | 2 | 35 | 229.412 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.16 | 6.43 | -98.8 | 4 | 3 | 2 | 35 | 229.412 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.16 | 2.92 | -43.26 | 3 | 3 | 1 | 34 | 228.404 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.16 | 6.64 | -216.81 | 5 | 3 | 3 | 37 | 230.42 | 8 | ↓ |