UCSF

ZINC67432326

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 27 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) 1.83 6.49 -49.23 2 7 1 67 370.477 6
Hi High (pH 8-9.5) 1.83 5.15 -9.08 1 7 0 63 369.469 6
Mid Mid (pH 6-8) 1.83 8.69 -97.54 3 7 2 69 371.485 6

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

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