UCSF

ZINC64539388

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 38 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) 4.92 12.65 -66.34 2 6 -1 110 526.738 4
Mid Mid (pH 6-8) 4.92 13.03 -98.92 3 6 0 111 527.746 4
Lo Low (pH 4.5-6) 4.92 11.07 -56.49 4 6 1 108 528.754 4

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

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