UCSF

ZINC40165870

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.38 10.39 -19.26 1 6 0 81 455.568 5
Hi High (pH 8-9.5) 5.45 8.81 -51.78 0 6 -1 87 454.56 5

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