UCSF

ZINC57909431

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 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) 2.96 6.35 -47.62 4 5 1 77 332.468 6
Hi High (pH 8-9.5) 3.14 4.83 -34.64 3 5 0 83 331.46 6

Activity (Go SEA)

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