UCSF

ZINC42457465

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 4.43 10.14 -47.16 1 2 1 22 289.226 6
Hi High (pH 8-9.5) 4.43 7.86 -7.45 0 2 0 20 288.218 6

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Rings

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