UCSF

ZINC71574634

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 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) 2.74 4.4 -52.03 4 4 1 66 254.313 3
Hi High (pH 8-9.5) 2.74 4 -10.87 3 4 0 64 253.305 3
Lo Low (pH 4.5-6) 2.74 4.81 -94.61 5 4 2 67 255.321 3

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

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