UCSF

ZINC53329745

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 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) 3.99 10.25 -29.49 2 2 1 29 269.412 6
Hi High (pH 8-9.5) 3.99 9.22 -4.13 1 2 0 25 268.404 6
Mid Mid (pH 6-8) 3.99 9.94 -104.7 3 2 2 31 270.42 6

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

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