UCSF

ZINC19668829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 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) 1.94 2.2 -40.45 3 4 1 49 306.213 5
Hi High (pH 8-9.5) 1.94 0.88 -6.48 2 4 0 45 305.205 5
Lo Low (pH 4.5-6) 1.94 4.74 -120.4 4 4 2 51 307.221 5

Activity (Go SEA)

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