UCSF

ZINC54937707

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 0.53 5.58 -52.59 3 4 1 57 221.328 4
Hi High (pH 8-9.5) 0.53 5.19 -4.75 2 4 0 55 220.32 4
Mid Mid (pH 6-8) 0.53 6.02 -98.09 4 4 2 58 222.336 4

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

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