UCSF

ZINC38522487

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 33 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) 2.53 11.64 -16.55 0 8 0 71 447.539 5
Lo Low (pH 4.5-6) 2.53 12.01 -41.81 1 8 1 72 448.547 5

Activity (Go SEA)

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