UCSF

ZINC60210743

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 33 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) 5.17 12.73 -14.26 0 6 0 82 506.407 6
Mid Mid (pH 6-8) 5.75 11.67 -52.23 0 6 -1 88 505.399 6
Mid Mid (pH 6-8) 5.35 12.53 -10.95 0 6 0 82 506.407 6

Activity (Go SEA)

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