UCSF

ZINC21116032

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 24 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) 3.18 7.18 -27.47 1 6 0 78 342.376 6
Hi High (pH 8-9.5) 3.36 6.12 -49.02 0 6 -1 84 341.368 6

Activity (Go SEA)

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