UCSF

ZINC59474303

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 15 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) 4.27 5.11 -3.78 2 2 0 32 207.317 7
Lo Low (pH 4.5-6) 4.27 5.69 -39.1 3 2 1 37 208.325 7

Activity (Go SEA)

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