In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 20 | No |
Popular Name: (2S)-3-(4-benzylpiperazin-1-yl)-N'-hydroxy-2-methyl-propanamidine (2S)-3-(4-benzylpiperazin-1-yl)-…
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) | 1.40 | 3.92 | -42.03 | 4 | 5 | 1 | 66 | 277.392 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 4.19 | -42.46 | 4 | 5 | 1 | 66 | 277.392 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 1.94 | -5.92 | 3 | 5 | 0 | 65 | 276.384 | 5 | ↓ |