In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 27 | Yes |
Popular Name: (2S)-N-[[3-ethyl-5-(4-methylpiperazin-1-yl)-1-(o-tolyl)pyrazol-4-yl]methyl]butan-2-amine (2S)-N-[[3-ethyl-5-(4-methylpipe…
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) | 3.88 | 13.26 | -107.52 | 3 | 5 | 2 | 42 | 371.573 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.88 | 9.76 | -4.73 | 1 | 5 | 0 | 36 | 369.557 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.88 | 10.9 | -36.82 | 2 | 5 | 1 | 41 | 370.565 | 7 | ↓ |