UCSF

ZINC68959766

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 28 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) 4.97 11.71 -40.96 2 4 1 43 381.54 9
Hi High (pH 8-9.5) 4.97 10.13 -8.68 1 4 0 42 380.532 9

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

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