UCSF

ZINC68899931

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 15 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) -0.53 2.04 -37.38 2 5 1 63 213.257 4
Hi High (pH 8-9.5) -0.53 0.48 -7.94 1 5 0 59 212.249 4

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

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