UCSF

ZINC58538444

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 29 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) 4.83 13.63 -58.82 0 6 -1 81 412.849 8
Mid Mid (pH 6-8) 3.64 14.58 -23.28 0 6 0 75 413.857 9

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

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