UCSF

ZINC15935435

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 28 No

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) 3.23 10.41 -8.59 1 6 0 67 378.476 7 ↓
Mid Mid (pH 6-8) 3.23 11.4 -39.42 2 6 1 68 379.484 7 ↓
Lo Low (pH 4.5-6) 3.23 12.86 -89.16 3 6 2 70 380.492 8 ↓
Lo Low (pH 4.5-6) 3.23 10.88 -37.42 2 6 1 68 379.484 7 ↓

Activity (Go SEA)

Rings

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