UCSF

ZINC22699717

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 21 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) -1.10 -3.97 -42.9 2 9 -1 127 290.259 1
Hi High (pH 8-9.5) -0.92 -6.62 -87.04 1 9 -2 134 289.251 1
Mid Mid (pH 6-8) -1.56 -2.14 -14.36 3 9 0 124 291.267 1

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

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