UCSF

ZINC61418754

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 17 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) 0.88 1.32 -48.86 3 5 1 79 227.247 2
Hi High (pH 8-9.5) 0.88 0.93 -9.02 2 5 0 78 226.239 2

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

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