UCSF

ZINC36681986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 25 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) 5.32 5.53 -13.29 1 6 0 77 398.633 4
Hi High (pH 8-9.5) 4.84 2.96 -50.39 0 6 -1 84 397.625 4

Activity (Go SEA)

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