UCSF

ZINC62964684

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) 0.02 0.76 -111.59 4 4 2 39 254.422 3
Hi High (pH 8-9.5) 0.02 -1.63 -44.34 3 4 1 37 253.414 3
Mid Mid (pH 6-8) 0.02 3.19 -197.25 5 4 3 40 255.43 3

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

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