UCSF

ZINC41681737

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) -0.45 2.77 -54.14 4 6 1 100 315.415 9
Hi High (pH 8-9.5) -0.45 2.43 -12.58 3 6 0 98 314.407 9

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Rings

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