UCSF

ZINC69709860

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 No

Popular Name: 4-[[[(3R)-1,1-dioxothiolan-3-yl]methylamino]methyl]-2-isobutyl-N,N,5-trimethyl-pyrazol-3-amine 4-[[[(3R)-1,1-dioxothiolan-3-yl]…

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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) 1.35 5.36 -63.14 2 6 1 72 343.517 7 ↓
Hi High (pH 8-9.5) 1.35 4.21 -38.82 2 6 1 68 343.517 7 ↓
Hi High (pH 8-9.5) 1.35 4.26 -14.49 1 6 0 67 342.509 7 ↓
Lo Low (pH 4.5-6) 1.35 6.08 -124.93 3 6 2 73 344.525 7 ↓

Activity (Go SEA)

Rings

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

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