UCSF

ZINC42441159

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) 1.16 8.71 -24.45 1 3 0 45 286.169 5
Hi High (pH 8-9.5) 1.16 6.14 -47.2 0 3 -1 43 285.161 5

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Rings

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