UCSF

ZINC62948734

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 0.37 0.15 -50.3 2 4 1 54 247.384 2
Hi High (pH 8-9.5) 0.37 -1.11 -10.21 1 4 0 49 246.376 2
Lo Low (pH 4.5-6) 0.37 1.08 -51.97 2 4 1 51 247.384 2
Lo Low (pH 4.5-6) 0.37 2.36 -129.71 3 4 2 55 248.392 2

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

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