UCSF

ZINC44510699

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 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 4.4 -34.81 2 3 1 29 227.372 3
Mid Mid (pH 6-8) 1.14 5.83 -102.38 3 3 2 30 228.38 3

Activity (Go SEA)

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