UCSF

ZINC53435065

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 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) 0.67 0.91 -63.18 2 5 1 63 291.437 4
Mid Mid (pH 6-8) 0.67 -0.26 -11.73 1 5 0 59 290.429 4
Lo Low (pH 4.5-6) 0.67 2.87 -150.38 3 5 2 64 292.445 4

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

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