UCSF

ZINC62801832

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 20 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) 3.70 7.59 -9.08 1 2 0 33 328.209 3
Lo Low (pH 4.5-6) 3.70 8.02 -35.87 2 2 1 34 329.217 3

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

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