In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 22 | Yes |
Popular Name: 5-(hydroxymethyl)-2-methyl-4-[(8-methyl-3,8-diazaspiro[4.5]decan-3-yl)methyl]pyridin-3-ol 5-(hydroxymethyl)-2-methyl-4-[(8…
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) | 0.55 | 4 | -105.58 | 4 | 5 | 2 | 62 | 307.438 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.55 | 1.43 | -42.18 | 3 | 5 | 1 | 61 | 306.43 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.55 | 2.44 | -51.36 | 3 | 5 | 1 | 65 | 306.43 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.55 | 4.99 | -97.52 | 4 | 5 | 2 | 66 | 307.438 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.