In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2008 | 16 | Yes |
Popular Name: (1R)-1-(4-ethylphenyl)-N-isopropyl-N-methyl-ethane-1,2-diamine (1R)-1-(4-ethylphenyl)-N-isoprop…
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) | 1.04 | 7.15 | -32.72 | 3 | 2 | 1 | 30 | 221.368 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.04 | 7.44 | -127.58 | 4 | 2 | 2 | 32 | 222.376 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.04 | 5.47 | -41 | 3 | 2 | 1 | 31 | 221.368 | 5 | ↓ |