UCSF

ZINC64539171

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 43 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) 9.08 17.29 -33.24 4 4 1 61 572.817 8
Mid Mid (pH 6-8) 9.08 16.45 -4.69 3 4 0 57 571.809 8
Mid Mid (pH 6-8) 9.08 17.9 -22.54 4 4 0 61 572.817 8

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

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