UCSF

ZINC39761352

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 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) 1.35 6.12 -23.41 2 8 0 101 422.511 6
Lo Low (pH 4.5-6) 1.35 7.26 -43.06 3 8 1 103 423.519 6

Activity (Go SEA)

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