UCSF

ZINC41680759

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) 4.15 9.11 -48.74 2 3 1 40 300.348 7
Hi High (pH 8-9.5) 4.15 6.65 -7.18 1 3 0 39 299.34 7

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Rings

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