UCSF

ZINC62953443

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 3.33 7.21 -30.57 2 3 1 26 283.48 6
Hi High (pH 8-9.5) 3.33 6.33 -34.75 2 3 1 29 283.48 6
Hi High (pH 8-9.5) 3.33 4.84 -0.92 1 3 0 24 282.472 6
Lo Low (pH 4.5-6) 3.33 8.24 -116.34 3 3 2 30 284.488 6

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

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