UCSF

ZINC13544768

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 16 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) 3.37 1 -45.9 1 5 -1 73 253.694 3
Mid Mid (pH 6-8) 2.02 1.69 -35.62 1 5 -1 76 253.694 2
Mid Mid (pH 6-8) 2.02 1.85 -39.8 1 5 -1 76 253.694 2
Lo Low (pH 4.5-6) 2.92 2.86 -17.39 2 5 0 70 254.702 3

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

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