UCSF

ZINC18544017

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2008 10 Yes

Other Names:

MFCD08272224

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) 0.44 3 -43.65 3 3 1 53 134.162 0
Hi High (pH 8-9.5) 0.44 2.58 -20.1 2 3 0 51 133.154 0

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

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