UCSF

ZINC37102921

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 4.44 10.07 -35.32 2 3 1 43 278.416 8
Hi High (pH 8-9.5) 4.44 9.35 -5.64 1 3 0 38 277.408 8

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Rings

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