In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 18 | Yes |
Popular Name: (2S)-2-amino-4-methyl-1-(4-sec-butylpiperazin-1-yl)pentan-1-one (2S)-2-amino-4-methyl-1-(4-sec-b…
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) | 1.28 | 3.44 | -43.35 | 3 | 4 | 1 | 51 | 256.414 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.28 | 3.11 | -7.47 | 2 | 4 | 0 | 50 | 255.406 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.28 | 5.39 | -97.9 | 4 | 4 | 2 | 52 | 257.422 | 5 | ↓ |