UCSF

ZINC69814832

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 Yes

Popular Name: [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-[3-methyl-5-(methylamino)isothiazol-4-yl]metha [4-[(1-methylimidazol-2-yl)methy…

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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) -0.12 4.63 -15.42 1 7 0 66 348.476 4 ↓
Mid Mid (pH 6-8) -0.12 4.86 -35.9 2 7 1 68 349.484 4 ↓
Lo Low (pH 4.5-6) -0.12 6.69 -113.38 3 7 2 69 350.492 4 ↓
Lo Low (pH 4.5-6) -0.12 6.49 -49.03 2 7 1 67 349.484 4 ↓

Activity (Go SEA)

Rings

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

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