UCSF

ZINC34850054

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 33 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) 2.00 13.18 -61.8 3 6 0 103 452.457 9
Hi High (pH 8-9.5) 2.00 12.12 -59.44 2 6 -1 98 451.449 9

Activity (Go SEA)

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