UCSF

ZINC49037094

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 20 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) 0.77 5.78 -17.48 1 5 0 62 275.352 4
Lo Low (pH 4.5-6) 0.77 6.19 -39.9 2 5 1 64 276.36 4

Activity (Go SEA)

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