UCSF

ZINC62809757

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 16 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) 1.56 2.53 -41.87 2 4 1 48 223.296 4
Hi High (pH 8-9.5) 1.56 0.83 -6.13 1 4 0 43 222.288 4
Mid Mid (pH 6-8) 1.56 3.3 -87.87 3 4 2 49 224.304 4

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

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