UCSF

ZINC20125308

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 2.69 6.98 -55.16 3 3 1 46 328.274 7
Hi High (pH 8-9.5) 2.69 5.75 -10.5 2 3 0 41 327.266 7

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Rings

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