UCSF

ZINC38138437

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 36 No

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) 0.28 2.82 -61.71 5 13 -1 208 532.536 8
Hi High (pH 8-9.5) 0.28 4.75 -197.92 3 13 -3 213 530.52 8
Hi High (pH 8-9.5) 0.28 3.76 -145.12 4 13 -2 210 531.528 8

Activity (Go SEA)

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