UCSF

ZINC49181635

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 23 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) 5.24 4.82 -8.05 3 4 0 70 314.381 4
Hi High (pH 8-9.5) 5.24 5.84 -55.74 2 4 -1 73 313.373 4

Activity (Go SEA)

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