UCSF

ZINC22126199

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 11 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) 2.34 6.26 -7.74 0 2 0 18 170.643 1
Lo Low (pH 4.5-6) 2.34 6.66 -23.91 1 2 1 19 171.651 1

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

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