UCSF

ZINC19726000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.61 9.5 -95.21 3 3 2 24 289.467 4
Hi High (pH 8-9.5) 2.61 8.09 -30.46 2 3 1 20 288.459 4

Activity (Go SEA)

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