UCSF

ZINC62969712

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 No

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) 1.25 4 -38.79 1 4 1 34 255.382 6
Hi High (pH 8-9.5) 1.25 1.83 -4.98 0 4 0 33 254.374 6
Lo Low (pH 4.5-6) 1.25 6.21 -118.32 2 4 2 35 256.39 6

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

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