In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (4-amino-1H-pyrrol-2-yl)-(4-tert-butylpiperazin-1-yl)methanone (4-amino-1H-pyrrol-2-yl)-(4-tert…
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) | 1.02 | 3.84 | -42.51 | 4 | 5 | 1 | 67 | 251.354 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.02 | 1.77 | -9.28 | 3 | 5 | 0 | 65 | 250.346 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.58 | 2.63 | -93.7 | 4 | 5 | 2 | 65 | 252.362 | 2 | ↓ |