UCSF

ZINC39748291

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 29 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) 2.85 10.35 -19.06 1 10 0 128 434.503 9
Hi High (pH 8-9.5) 3.04 9.14 -38.81 0 10 -1 134 433.495 9

Activity (Go SEA)

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