UCSF

ZINC81880204

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2012 17 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) 1.38 5.63 -47.81 3 5 1 67 257.383 7
Hi High (pH 8-9.5) 1.38 4.51 -7.3 2 5 0 63 256.375 7

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

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