In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 16 | Yes |
Popular Name: (2S)-N2-(cyclopropylmethyl)-N2-isopropyl-heptane-1,2-diamine (2S)-N2-(cyclopropylmethyl)-N2-i…
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) | 3.13 | 5.75 | -40.23 | 3 | 2 | 1 | 31 | 227.416 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.12 | 6.81 | -28.15 | 3 | 2 | 1 | 30 | 227.416 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.13 | 7.17 | -118.29 | 4 | 2 | 2 | 32 | 228.424 | 9 | ↓ |