UCSF

ZINC60023678

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 22 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) 1.36 4.8 -26.59 1 6 1 50 307.418 4
Mid Mid (pH 6-8) 1.36 5.39 -14.39 0 6 0 49 306.41 4
Lo Low (pH 4.5-6) 1.36 7.83 -96.36 2 6 2 51 308.426 4

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

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