UCSF

ZINC62967686

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.90 6.03 -33.31 1 2 1 8 262.215 4
Hi High (pH 8-9.5) 1.90 3.63 -1.76 0 2 0 6 261.207 4
Lo Low (pH 4.5-6) 1.90 8.39 -106.89 2 2 2 9 263.223 4

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

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