UCSF

ZINC71524800

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 16 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) -0.45 -0.93 -55.32 5 5 1 86 224.215 2
Hi High (pH 8-9.5) -0.26 -3.89 -42.06 3 5 -1 91 222.199 2
Mid Mid (pH 6-8) -0.26 -3.57 -45.45 4 5 0 92 223.207 2

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

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