UCSF

ZINC68897512

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 15 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) 1.14 5.75 -33.64 1 3 1 25 211.329 4
Hi High (pH 8-9.5) 1.14 3.42 -5.66 0 3 0 24 210.321 4

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

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