UCSF

ZINC38693307

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 34 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) 6.16 9.33 -18.92 1 6 0 84 498.67 5
Mid Mid (pH 6-8) 6.16 10.08 -60.99 0 6 -1 86 497.662 5

Activity (Go SEA)

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