UCSF

ZINC68909367

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 15 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) 0.99 3.33 -32.95 2 3 1 28 213.345 4
Hi High (pH 8-9.5) 0.99 1.06 -2.19 1 3 0 27 212.337 4
Mid Mid (pH 6-8) 0.99 5.71 -102.79 3 3 2 29 214.353 4

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

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