UCSF

ZINC42459767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.90 6.96 -38.25 1 3 1 31 222.308 6
Mid Mid (pH 6-8) 1.90 4.67 -9.32 0 3 0 30 221.3 6

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Rings

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