UCSF

ZINC17780486

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 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) 2.49 6.5 -13.34 0 3 0 39 251.285 1
Ref Reference (pH 7) 2.49 8.04 -10.05 0 3 0 39 251.285 1
Mid Mid (pH 6-8) 2.49 8.94 -30.56 1 3 1 40 252.293 1
Mid Mid (pH 6-8) 2.49 7.38 -29.97 1 3 1 40 252.293 1

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

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