UCSF

ZINC49573409

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 17 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) 0.43 4.86 -37.72 1 6 1 70 240.283 7
Mid Mid (pH 6-8) 0.43 2.98 -12.7 0 6 0 68 239.275 7

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

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