UCSF

ZINC20192372

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 31 Yes

Popular Name: N-[3-[(S)-[4-(2-hydroxyethyl)piperazin-1-yl]-(3-pyridyl)methyl]-4,5-dimethyl-2-thienyl]furan-2-carbo N-[3-[(S)-[4-(2-hydroxyethyl)pip…

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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) 2.00 5.81 -36.87 3 7 1 83 441.577 7 ↓
Mid Mid (pH 6-8) 2.00 7.48 -44.75 3 7 1 83 441.577 7 ↓
Mid Mid (pH 6-8) 2.00 5.12 -12.81 2 7 0 82 440.569 7 ↓
Lo Low (pH 4.5-6) 2.00 8.02 -98.07 4 7 2 84 442.585 7 ↓

Activity (Go SEA)

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

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