UCSF

ZINC66124059

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 26 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) -2.50 4.65 -107.04 3 9 -2 156 361.354 8
Mid Mid (pH 6-8) -2.50 4.98 -109.58 4 9 -1 157 362.362 8

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

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