UCSF

ZINC03425414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 21 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) 3.17 4.26 -53.02 1 5 -1 73 276.275 1
Mid Mid (pH 6-8) 3.17 3.49 -10.98 2 5 0 70 277.283 1

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

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