UCSF

ZINC46912132

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2010 29 Yes

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) 2.69 9.57 -41.74 2 5 1 46 396.555 9
Lo Low (pH 4.5-6) 2.69 12.1 -86.62 3 5 2 47 397.563 9

Activity (Go SEA)

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