UCSF

ZINC69779390

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 25 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) 1.25 2.94 -14.85 2 7 0 81 348.378 6
Lo Low (pH 4.5-6) 1.25 5.76 -56.99 3 7 1 83 349.386 6

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

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