UCSF

ZINC12659887

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 25 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) 1.82 9.2 -10.51 1 8 0 83 343.387 6
Mid Mid (pH 6-8) 1.82 9.62 -36.93 2 8 1 84 344.395 6

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

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