UCSF

ZINC49575400

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 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) 3.48 10.7 -50.29 1 3 1 22 292.834 4
Hi High (pH 8-9.5) 3.48 8.48 -7.58 0 3 0 21 291.826 4
Lo Low (pH 4.5-6) 3.48 11.1 -96.38 2 3 2 24 293.842 4

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

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