UCSF

ZINC37824430

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 Yes

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) -1.02 3.16 -50.83 3 5 1 85 222.268 5
Hi High (pH 8-9.5) -1.02 2.84 -15.01 2 5 0 83 221.26 5

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Rings

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