UCSF

ZINC20128984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 3.45 10.62 -109.1 3 2 2 21 262.441 8
Hi High (pH 8-9.5) 3.45 9.47 -34.13 2 2 1 16 261.433 8
Mid Mid (pH 6-8) 3.45 8.09 -41.97 2 2 1 20 261.433 8

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

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