In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 17 | Yes |
Popular Name: (2S)-N1-[(1S)-1-cyclopropylethyl]-N1,3,3-trimethyl-N2-propyl-butane-1,2-diamine (2S)-N1-[(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) | 3.90 | 9 | -105.9 | 3 | 2 | 2 | 21 | 242.451 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.90 | 8.98 | -34.24 | 2 | 2 | 1 | 20 | 241.443 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.90 | 8.86 | -28.71 | 2 | 2 | 1 | 16 | 241.443 | 8 | ↓ |