UCSF

ZINC69181764

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 20 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) 1.74 8.94 -85.94 3 4 2 37 294.468 5
Hi High (pH 8-9.5) 1.74 5.13 -4.49 1 4 0 31 292.452 5
Mid Mid (pH 6-8) 1.74 6.57 -40.96 2 4 1 36 293.46 5

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

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