UCSF

ZINC13772069

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 35 No

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

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) 2.01 6.59 -55.69 1 10 -1 155 489.545 9 ↓
Hi High (pH 8-9.5) 2.01 6.39 -24.19 0 10 0 158 488.537 9 ↓
Hi High (pH 8-9.5) 2.01 6.72 -124.34 0 10 -2 158 488.537 9 ↓
Mid Mid (pH 6-8) 2.01 6.4 -114.39 0 10 -2 158 488.537 9 ↓
Mid Mid (pH 6-8) 2.01 7.33 -127.86 0 10 -2 158 488.537 9 ↓
Mid Mid (pH 6-8) 1.09 7.82 -17.83 2 10 0 148 490.553 9 ↓
Mid Mid (pH 6-8) 2.01 7.34 -119.98 0 10 -2 158 488.537 9 ↓
Mid Mid (pH 6-8) 2.01 7.75 -116.72 0 10 -2 158 488.537 9 ↓
Mid Mid (pH 6-8) 2.01 7.81 -130.34 0 10 -2 158 488.537 9 ↓
Mid Mid (pH 6-8) 2.01 5.36 -107.16 0 10 -2 158 488.537 9 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.