UCSF

ZINC95619118

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2014 34 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) 4.94 10.25 -49.26 2 6 1 67 468.662 15
Ref Reference (pH 7) 4.94 11.64 -45.66 2 6 1 67 468.662 15
Hi High (pH 8-9.5) 4.94 8.06 -15.09 1 6 0 65 467.654 15
Hi High (pH 8-9.5) 4.94 9.49 -13.87 1 6 0 65 467.654 15

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

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