UCSF

ZINC64539696

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 28 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) 3.56 10.62 -8.92 2 4 0 57 378.516 6
Mid Mid (pH 6-8) 3.56 10.85 -48.14 3 4 1 59 379.524 6
Lo Low (pH 4.5-6) -0.18 11.14 -95.49 3 4 2 60 380.532 6

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

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