UCSF

ZINC62973806

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) 0.92 2.14 -38.79 2 4 1 32 256.414 7
Mid Mid (pH 6-8) 0.92 4.62 -106.6 3 4 2 34 257.422 7
Mid Mid (pH 6-8) 0.92 4.35 -84.78 3 4 2 34 257.422 7
Lo Low (pH 4.5-6) 0.92 6.82 -192.33 4 4 3 35 258.43 7

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

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