UCSF

ZINC41203123

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 19 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) 3.31 6.22 -44.58 2 3 1 39 277.413 6
Hi High (pH 8-9.5) 3.31 5.01 -6.4 1 3 0 34 276.405 6

Activity (Go SEA)

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