UCSF

ZINC37085182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.19 4.34 -33.51 2 6 1 71 298.359 8
Hi High (pH 8-9.5) 2.19 3.14 -8.06 1 6 0 66 297.351 8

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Rings

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