UCSF

ZINC59919175

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 24 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 6.44 -41.24 1 5 -1 65 365.759 7
Mid Mid (pH 6-8) 2.53 8.72 -53.04 2 5 0 66 366.767 7

Activity (Go SEA)

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