UCSF

ZINC34884394

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 28 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) 1.29 6.88 -53.64 3 11 -1 149 409.363 3
Lo Low (pH 4.5-6) 1.29 7.35 -60.24 4 11 0 151 410.371 3

Activity (Go SEA)

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