UCSF

ZINC43900006

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.67 9.05 -110.55 3 2 2 21 252.446 3
Hi High (pH 8-9.5) 3.67 8 -31.83 2 2 1 16 251.438 3

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