UCSF

ZINC03211601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 19 No

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) 3.17 4.15 -44.33 1 3 -1 56 286.357 1
Hi High (pH 8-9.5) 3.17 4.79 -93.89 0 3 -2 59 285.349 1

Activity (Go SEA)

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