UCSF

ZINC59338813

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 17 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) 3.79 8.22 -118.3 4 2 2 32 242.451 10
Mid Mid (pH 6-8) 3.79 7.84 -27.37 3 2 1 30 241.443 10
Mid Mid (pH 6-8) 3.79 6.6 -39.27 3 2 1 31 241.443 10

Activity (Go SEA)

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