In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 13 | Yes |
Popular Name: (2S)-N2-cyclopropyl-3-ethyl-N2-methyl-pentane-1,2-diamine (2S)-N2-cyclopropyl-3-ethyl-N2-m…
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) | 1.63 | 4.89 | -116.97 | 4 | 2 | 2 | 32 | 186.343 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.63 | 3.23 | -41.02 | 3 | 2 | 1 | 31 | 185.335 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.63 | 4.5 | -28.78 | 3 | 2 | 1 | 30 | 185.335 | 6 | ↓ |