UCSF

ZINC60176359

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 21 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) 6.51 8.84 -37.18 4 3 1 60 299.523 15
Hi High (pH 8-9.5) 6.51 7.75 -7.47 3 3 0 55 298.515 15

Activity (Go SEA)

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