UCSF

ZINC49238825

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 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) 0.46 4.94 -48.73 3 6 1 92 283.396 9
Hi High (pH 8-9.5) 0.46 3.42 -15.71 2 6 0 90 282.388 9

Activity (Go SEA)

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