UCSF

ZINC62820922

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 14 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) 0.38 3.15 -98.22 4 4 2 56 197.282 4
Hi High (pH 8-9.5) 0.38 1.3 -7.56 2 4 0 50 195.266 4
Mid Mid (pH 6-8) 0.38 2.76 -36.86 3 4 1 55 196.274 4

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

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