UCSF

ZINC39230257

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 1.50 7.4 -39.79 3 5 1 62 329.399 5
Hi High (pH 8-9.5) 1.50 6.09 -13.39 2 5 0 57 328.391 5

Activity (Go SEA)

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