UCSF

ZINC49065269

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 20 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) 1.14 3.43 -43.38 0 5 -1 69 299.347 3
Mid Mid (pH 6-8) 1.14 3.33 -10.95 1 5 0 66 300.355 3

Activity (Go SEA)

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