UCSF

ZINC62789940

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 20 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) 4.35 8.32 -7.69 1 3 0 49 279.73 2
Mid Mid (pH 6-8) 4.35 8.79 -37.23 2 3 1 50 280.738 2

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

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