UCSF

ZINC69719966

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 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) 0.52 5.68 -102.83 4 3 2 35 213.369 3
Hi High (pH 8-9.5) 0.52 0.94 -1.32 2 3 0 32 211.353 3
Mid Mid (pH 6-8) 0.52 4.05 -89.96 4 3 2 35 213.369 3
Lo Low (pH 4.5-6) 0.52 6.04 -210.25 5 3 3 37 214.377 3

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

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