UCSF

ZINC20126718

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.27 4.85 -124.35 4 4 2 51 252.358 6
Hi High (pH 8-9.5) 1.27 3.16 -69.47 2 4 0 52 250.342 6
Mid Mid (pH 6-8) 1.27 3.34 -40.95 3 4 1 46 251.35 6

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

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