In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 16 | Yes |
Popular Name: (2S,3R)-N3-ethyl-N2-methyl-N2-[(1S)-1,2,2-trimethylpropyl]pentane-2,3-diamine (2S,3R)-N3-ethyl-N2-methyl-N2-[(…
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) | 3.73 | 7.64 | -98.78 | 3 | 2 | 2 | 21 | 230.44 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.73 | 6.57 | -31.66 | 2 | 2 | 1 | 20 | 229.432 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.73 | 6.74 | -27.35 | 2 | 2 | 1 | 16 | 229.432 | 7 | ↓ |