UCSF

ZINC05960121

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2006 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) 3.98 8.53 -13.72 1 6 0 73 362.385 5
Mid Mid (pH 6-8) 3.98 8.91 -31.88 2 6 1 75 363.393 5

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

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