UCSF

ZINC01788044

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 23 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) 3.70 10.23 -8.07 1 5 0 59 327.75 2
Ref Reference (pH 7) 3.70 10.42 -14.79 0 5 0 56 327.75 2
Mid Mid (pH 6-8) 3.71 10.42 -25.18 2 5 1 60 328.758 2
Mid Mid (pH 6-8) 3.70 10.74 -34.59 1 5 1 58 328.758 2

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

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