UCSF

ZINC37335444

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 16 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) 2.62 7.99 -48.22 1 2 1 22 228.262 5
Mid Mid (pH 6-8) 2.62 5.73 -9.17 0 2 0 20 227.254 5

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Rings

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