UCSF

ZINC41541709

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) 0.85 8.12 -61.18 1 8 0 96 423.517 6
Lo Low (pH 4.5-6) 0.85 7.35 -46.53 2 8 1 93 424.525 6

Activity (Go SEA)

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