UCSF

ZINC60075973

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 19 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) 4.04 7.37 -39.95 2 4 0 66 264.369 9
Hi High (pH 8-9.5) 4.04 6.91 -50.36 1 4 -1 65 263.361 9
Mid Mid (pH 6-8) 4.04 5.91 -9.34 2 4 0 62 264.369 9

Activity (Go SEA)

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