UCSF

ZINC14224993

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 31 No

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) 4.69 6.02 -50.9 1 9 -1 140 501.349 7
Mid Mid (pH 6-8) 4.69 6.14 -95.95 0 9 -2 142 500.341 7
Mid Mid (pH 6-8) 4.69 6.01 -43.69 1 9 -1 140 501.349 7
Lo Low (pH 4.5-6) 4.69 5.9 -17.65 2 9 0 138 502.357 7

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

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