UCSF

ZINC19942678

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 16 Yes

Popular Name: 4-[4-(2-HYDROXY-ETHYL)-PIPERAZIN-1-YL]-4-OXO-BUTYRIC ACID 4-[4-(2-HYDROXY-ETHYL)-PIPERAZIN…

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CAS Number: 717904-43-3

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) -1.29 -0.83 -49.82 1 6 -1 84 229.256 5 ↓
Lo Low (pH 4.5-6) -1.29 0.41 -43.57 3 6 1 82 231.272 5 ↓
Lo Low (pH 4.5-6) -1.29 -1.95 -12.52 2 6 0 81 230.264 5 ↓

Activity (Go SEA)

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