UCSF

ZINC19016055

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2008 21 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) 1.66 6.18 -13.76 1 5 0 56 285.347 5
Lo Low (pH 4.5-6) 1.66 6.45 -34.93 2 5 1 57 286.355 5

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

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