UCSF

ZINC67755474

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 27 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) 0.65 7.76 -47.77 3 8 1 93 366.449 5
Mid Mid (pH 6-8) 0.65 9.52 -43.12 3 8 1 93 366.449 5
Mid Mid (pH 6-8) 0.65 7.3 -20.33 2 8 0 92 365.441 5
Lo Low (pH 4.5-6) 0.65 8.48 -90.46 4 8 2 94 367.457 5

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

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