UCSF

ZINC34936451

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 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) 2.45 12.32 -85.68 1 8 0 104 427.501 6
Mid Mid (pH 6-8) 2.45 10.05 -64.68 0 8 -1 103 426.493 6

Activity (Go SEA)

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