In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 26 | Yes |
Popular Name: 1-[(1S,2S)-1-(4-ethylpiperazine-1-carbonyl)-2-methyl-butyl]-3-(o-tolyl)urea 1-[(1S,2S)-1-(4-ethylpiperazine-…
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) | 3.08 | 6.11 | -7.89 | 2 | 6 | 0 | 65 | 360.502 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.08 | 8.34 | -46.1 | 3 | 6 | 1 | 66 | 361.51 | 6 | ↓ |