UCSF

ZINC62948861

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 0.34 1.89 -31.81 3 4 1 46 226.344 2
Lo Low (pH 4.5-6) 0.34 3.14 -105.06 4 4 2 50 227.352 2
Lo Low (pH 4.5-6) 0.34 1.08 -42.23 3 4 1 49 226.344 2

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

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