UCSF

ZINC62955050

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 3.46 9 -41.94 2 3 1 42 292.374 3
Hi High (pH 8-9.5) 3.46 7.81 -46.16 0 3 -1 43 290.358 3
Mid Mid (pH 6-8) 3.46 10 -50.6 1 3 0 45 291.366 3
Mid Mid (pH 6-8) 3.46 6.82 -6.83 1 3 0 41 291.366 3

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

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