UCSF

ZINC65496955

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 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) 1.13 4.35 -41.55 2 5 1 40 349.524 4
Hi High (pH 8-9.5) 1.13 2.12 -7.39 1 5 0 39 348.516 4
Lo Low (pH 4.5-6) 1.13 6.62 -94.78 3 5 2 41 350.532 4

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

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