UCSF

ZINC42446776

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.36 4.43 -51.11 4 5 1 84 278.376 8
Mid Mid (pH 6-8) 1.36 2.35 -9.5 3 5 0 83 277.368 8

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Rings

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