UCSF

ZINC35624850

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 4.32 10.7 -116.5 3 2 2 21 333.347 8
Mid Mid (pH 6-8) 4.32 9.89 -32.96 2 2 1 16 332.339 8

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Rings

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