UCSF

ZINC69563880

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 17 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) -1.01 1.11 -18.57 3 6 0 103 259.283 6
Mid Mid (pH 6-8) -1.01 1.98 -54.43 2 6 -1 106 258.275 6
Lo Low (pH 4.5-6) -1.01 1.46 -58.85 4 6 1 104 260.291 6

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

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