In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 15 | Yes |
Popular Name: (2S)-N1,2-dimethyl-N1-(thiazol-4-ylmethyl)pentane-1,2-diamine (2S)-N1,2-dimethyl-N1-(thiazol-4…
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) | 2.19 | 3.01 | -37.49 | 3 | 3 | 1 | 44 | 228.385 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 5.03 | -113.95 | 4 | 3 | 2 | 45 | 229.393 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 4.99 | -31.16 | 3 | 3 | 1 | 43 | 228.385 | 6 | ↓ |