UCSF

ZINC53650396

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 18 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) 0.31 4.49 -33.65 2 4 1 39 250.366 7
Mid Mid (pH 6-8) 0.31 4.04 -39.08 2 4 1 42 250.366 7
Lo Low (pH 4.5-6) 0.31 5.84 -116.32 3 4 2 43 251.374 7

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

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