UCSF

ZINC69940658

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) 1.87 6.63 -35.16 2 3 1 34 208.329 3
Hi High (pH 8-9.5) 1.87 5.98 -26.06 2 3 1 31 208.329 3
Hi High (pH 8-9.5) 1.87 5.39 -5.5 1 3 0 30 207.321 3
Mid Mid (pH 6-8) 1.87 7.22 -100.73 3 3 2 36 209.337 3

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

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