UCSF

ZINC41195256

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 1.87 6.82 -46.85 1 5 -1 86 276.312 7
Lo Low (pH 4.5-6) 1.87 4.85 -9.61 2 5 0 83 277.32 7

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Rings

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