UCSF

ZINC62524989

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 1.85 5.26 -39.78 2 5 1 55 297.419 7
Mid Mid (pH 6-8) 1.85 3.73 -6.24 1 5 0 51 296.411 7
Mid Mid (pH 6-8) 1.85 7.46 -107 3 5 2 57 298.427 7
Lo Low (pH 4.5-6) 1.85 6.6 -38.49 2 5 1 52 297.419 7

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

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