UCSF

ZINC05408813

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 29 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) 1.95 4.88 -58.46 1 8 -1 114 396.375 7 ↓
Mid Mid (pH 6-8) 2.40 -0.59 -22.97 2 8 0 111 397.383 6 ↓
Lo Low (pH 4.5-6) 1.95 4.06 -21.79 2 8 0 111 397.383 7 ↓

Activity (Go SEA)

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