UCSF

ZINC36331858

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 19 No

Popular Name: 2-[(1,1-dioxothian-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone 2-[(1,1-dioxothian-4-yl)amino]-1…

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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) -0.87 -0.18 -63.76 2 6 1 74 290.409 3 ↓
Hi High (pH 8-9.5) -0.87 -1.39 -18.24 1 6 0 70 289.401 3 ↓
Mid Mid (pH 6-8) -0.87 0.95 -56.82 2 6 1 71 290.409 3 ↓
Mid Mid (pH 6-8) -0.87 2.16 -123.6 3 6 2 75 291.417 3 ↓

Activity (Go SEA)

Rings

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

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