UCSF

ZINC42137777

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 18 Yes

Popular Name: methyl methyl

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Download: MOL2 SDF SMILES Flexibase

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) 1.09 1.06 -65.33 3 7 1 105 292.362 4 ↓
Hi High (pH 8-9.5) 0.16 -0.85 -48.29 1 7 -1 99 290.346 5 ↓
Mid Mid (pH 6-8) 0.16 0.54 -67.8 2 7 0 104 291.354 5 ↓
Mid Mid (pH 6-8) 1.09 -0.32 -18.6 2 7 0 101 291.354 4 ↓

Activity (Go SEA)

Rings

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

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