UCSF

ZINC40237148

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 16 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) 5.17 9.01 -38.6 2 1 1 17 303.289 5
Hi High (pH 8-9.5) 5.17 7.5 -1.09 1 1 0 12 302.281 5

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

No pre-computed analogs available. Try a structural similarity search.