UCSF

ZINC67433777

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 26 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) 1.15 5.98 -42.56 3 7 1 80 351.434 6
Mid Mid (pH 6-8) 1.15 7.76 -61.26 3 7 1 80 351.434 6
Mid Mid (pH 6-8) 1.15 8.24 -95.94 4 7 2 81 352.442 6
Mid Mid (pH 6-8) 1.15 5.5 -16.25 2 7 0 79 350.426 6

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

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