UCSF

ZINC14989023

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 13 Yes

Other Names:

MFCD11055259

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) 1.63 4.71 -7.39 0 3 0 50 170.171 1
Lo Low (pH 4.5-6) 1.63 4.98 -37.96 1 3 1 51 171.179 1

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

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