UCSF

ZINC20649412

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 34 No

Popular Name: (2E)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(5-methoxy-1-methyl-indol-3-yl)methyl (2E)-6-hydroxy-7-[[4-(2-hydroxye…

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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) 2.44 5.53 -50.24 3 8 1 93 464.542 6 ↓
Mid Mid (pH 6-8) 2.44 6.15 -29.66 2 8 0 95 463.534 6 ↓
Mid Mid (pH 6-8) 2.44 3.19 -15.61 2 8 0 91 463.534 6 ↓
Mid Mid (pH 6-8) 2.44 3.82 -49.64 1 8 -1 94 462.526 6 ↓

Activity (Go SEA)

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