UCSF

ZINC66073809

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 46 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) 6.77 12.19 -23.05 1 9 0 98 616.67 9
Mid Mid (pH 6-8) 6.77 14.48 -59.86 2 9 1 99 617.678 9
Mid Mid (pH 6-8) 6.77 15.23 -40.53 1 9 0 102 616.67 9
Mid Mid (pH 6-8) 6.77 12.97 -52.07 0 9 -1 101 615.662 9

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

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