UCSF

ZINC38731031

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 39 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) 5.18 15.47 -15.85 1 5 0 53 521.705 9
Mid Mid (pH 6-8) 5.18 17.68 -47.44 2 5 1 54 522.713 9

Activity (Go SEA)

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