UCSF

ZINC60210697

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 30 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) 3.50 10.83 -13.1 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.68 10.24 -17.02 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 4.08 10.33 -51.89 0 6 -1 88 442.538 6

Activity (Go SEA)

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