In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 18 | Yes |
Popular Name: (2S)-N2-[(1S)-1-cyclopropylethyl]-N1-isopropyl-N2-(2-methoxyethyl)butane-1,2-diamine (2S)-N2-[(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) | 2.85 | 6.47 | -31.41 | 2 | 3 | 1 | 29 | 257.442 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.85 | 5.94 | -26.43 | 2 | 3 | 1 | 26 | 257.442 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.85 | 5.57 | -0.22 | 1 | 3 | 0 | 24 | 256.434 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.85 | 7.08 | -105.89 | 3 | 3 | 2 | 30 | 258.45 | 10 | ↓ |