UCSF

ZINC37324551

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 0.97 1.1 -62.22 3 6 1 81 321.806 6
Hi High (pH 8-9.5) 0.97 -0.28 -15.47 2 6 0 77 320.798 6

Activity (Go SEA)

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