UCSF

ZINC07391047

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2006 24 Yes

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) 2.38 10.08 -45.83 2 5 1 60 333.452 5
Hi High (pH 8-9.5) 2.38 7.93 -13.01 1 5 0 59 332.444 5

Activity (Go SEA)

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