UCSF

ZINC62951813

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) 2.73 8.06 -30.09 3 3 1 43 290.475 6
Mid Mid (pH 6-8) 2.73 6.61 -43.32 3 3 1 44 290.475 6
Lo Low (pH 4.5-6) 2.73 6.65 -107.91 4 3 2 45 291.483 6

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

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