UCSF

ZINC31876902

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 31 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) 4.04 11.78 -25.95 1 8 0 114 457.533 9
Hi High (pH 8-9.5) 4.23 10.69 -46.96 0 8 -1 120 456.525 9

Activity (Go SEA)

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