In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 19 | Yes |
Popular Name: (1S)-N-ethyl-N-isobutyl-1-(4-isopropylphenyl)ethane-1,2-diamine (1S)-N-ethyl-N-isobutyl-1-(4-iso…
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) | 3.74 | 7.95 | -126.03 | 4 | 2 | 2 | 32 | 264.457 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.74 | 8.95 | -27.73 | 3 | 2 | 1 | 30 | 263.449 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.74 | 7.2 | -41.82 | 3 | 2 | 1 | 31 | 263.449 | 7 | ↓ |