UCSF

ZINC62968868

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 0.49 4.91 -35.86 2 5 1 46 256.37 7
Hi High (pH 8-9.5) 0.49 1.12 -5.91 1 5 0 45 255.362 7
Mid Mid (pH 6-8) 0.49 5.08 -86.84 3 5 2 51 257.378 7

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

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