UCSF

ZINC40138681

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 33 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) 6.17 10.49 -18.17 2 7 0 93 484.339 7
Hi High (pH 8-9.5) 6.17 11.5 -64.64 1 7 -1 96 483.331 7

Activity (Go SEA)

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