UCSF

ZINC13684129

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 37 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) 4.34 12.19 -21.95 0 7 0 76 508.965 1
Mid Mid (pH 6-8) 4.34 13.89 -48.04 1 7 1 77 509.973 1

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

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