UCSF

ZINC54075517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2010 15 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) 0.55 1.65 -39.14 3 4 1 57 215.317 5
Hi High (pH 8-9.5) 0.55 0.32 -7.44 2 4 0 53 214.309 5

Activity (Go SEA)

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