UCSF

ZINC69946811

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 15 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) 1.04 4.85 -42.22 2 3 1 43 203.265 3
Mid Mid (pH 6-8) 1.04 3.66 -5.45 1 3 0 38 202.257 3
Lo Low (pH 4.5-6) 1.04 5.28 -102.32 3 3 2 44 204.273 3

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

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