UCSF

ZINC53446305

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 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) 0.96 3.48 -32.55 2 3 1 20 252.304 6
Hi High (pH 8-9.5) 0.96 1.26 -3.03 1 3 0 19 251.296 6
Mid Mid (pH 6-8) 0.96 4.84 -93.83 3 3 2 24 253.312 6

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

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