UCSF

ZINC54931356

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 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) 0.75 2.87 -87.39 3 3 2 24 185.315 3
Hi High (pH 8-9.5) 0.75 -1.07 -1.44 1 3 0 19 183.299 3
Mid Mid (pH 6-8) 0.75 1.18 -32.99 2 3 1 20 184.307 3

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

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