UCSF

ZINC67490338

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 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) 3.09 8.42 -49.78 3 5 1 64 334.399 2
Hi High (pH 8-9.5) 3.09 7.35 -12.03 2 5 0 59 333.391 2
Mid Mid (pH 6-8) 3.09 7.81 -37.46 3 5 1 60 334.399 2
Lo Low (pH 4.5-6) 3.09 8.88 -111.37 4 5 2 65 335.407 2

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

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