UCSF

ZINC54895682

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 19 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) 0.06 6.23 -90.78 4 4 2 48 282.457 2
Hi High (pH 8-9.5) 0.06 5.9 -40.89 3 4 1 47 281.449 2
Mid Mid (pH 6-8) 0.06 6.61 -161.12 5 4 3 49 283.465 2

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

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