UCSF

ZINC34681591

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 29 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) 4.06 11.33 -45.02 2 5 1 50 407.46 6
Mid Mid (pH 6-8) 4.06 9.51 -13.36 1 5 0 48 406.452 6

Activity (Go SEA)

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