UCSF

ZINC62979796

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 14 No

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) 0.73 2.94 -34.38 1 3 1 20 197.302 3
Hi High (pH 8-9.5) 0.73 0.54 -3.74 0 3 0 19 196.294 3
Lo Low (pH 4.5-6) 0.73 5.41 -106.96 2 3 2 21 198.31 3

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

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