UCSF

ZINC37839495

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 No

Download: MOL2 SDF SMILES Flexibase

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) 0.22 4.96 -20.23 1 5 0 67 251.282 5
Hi High (pH 8-9.5) 0.96 3.82 -54 1 5 -1 73 250.274 4

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Rings

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