UCSF

ZINC49398623

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 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) -0.56 1.76 -45.21 3 7 1 83 283.352 3
Hi High (pH 8-9.5) -0.37 -0.88 -63.62 2 7 0 89 282.344 3

Activity (Go SEA)

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