In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | No |
Popular Name: (3R)-3-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-butanamidine (3R)-3-[cyclohexylmethyl(methyl)…
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) | 2.25 | 4.93 | -38.94 | 4 | 4 | 1 | 63 | 228.36 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 2.29 | -4.85 | 3 | 4 | 0 | 62 | 227.352 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 2.94 | -4.3 | 3 | 4 | 0 | 62 | 227.352 | 5 | ↓ |