UCSF

ZINC62949079

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 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) 1.66 2.32 -37.3 2 3 1 23 266.331 3
Hi High (pH 8-9.5) 1.66 1.05 -2.8 1 3 0 19 265.323 3
Lo Low (pH 4.5-6) 1.66 4.74 -110.96 3 3 2 24 267.339 3
Lo Low (pH 4.5-6) 1.66 3.46 -36.52 2 3 1 20 266.331 3

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

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