UCSF

ZINC17975567

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 28 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) 3.00 5.36 -45.19 1 8 -1 117 421.524 7
Lo Low (pH 4.5-6) 2.55 7.08 -13.98 2 8 0 114 422.532 7

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

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