UCSF

ZINC40094242

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 39 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) 6.83 15.06 -58.48 0 7 -1 88 536.689 15
Lo Low (pH 4.5-6) 6.83 14.31 -14.41 1 7 0 85 537.697 15

Activity (Go SEA)

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