UCSF

ZINC13008408

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 27 Yes

Popular Name: N-(1,7-dimethyl-4-oxo-3H-furo[4,3-d]pyridazin-5-yl)-2-(4-hydroxy-6-propyl-pyrimidin-2-yl)sulfanyl-ac N-(1,7-dimethyl-4-oxo-3H-furo[4,…

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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) 1.99 3.17 -25.79 3 9 0 134 389.437 6 ↓
Hi High (pH 8-9.5) 2.90 0.23 -107.8 1 9 -2 140 387.421 6 ↓
Mid Mid (pH 6-8) 2.44 2.16 -54.03 2 9 -1 137 388.429 6 ↓
Mid Mid (pH 6-8) 2.44 1.84 -54.28 2 9 -1 137 388.429 6 ↓

Activity (Go SEA)

Rings

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

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