UCSF

ZINC34948392

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 28 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) 2.99 7.45 -14.58 4 8 0 113 377.383 5
Mid Mid (pH 6-8) 2.99 7.99 -40.5 5 8 1 114 378.391 5

Activity (Go SEA)

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