UCSF

ZINC22682216

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 36 Yes

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) 3.97 15.18 -111.82 4 6 2 67 488.676 12
Hi High (pH 8-9.5) 3.97 11.1 -17.74 2 6 0 65 486.66 12
Mid Mid (pH 6-8) 3.97 13.15 -59.23 3 6 1 66 487.668 12

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

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