UCSF

ZINC06719042

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2006 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) 1.99 6.74 -13.01 0 4 0 52 317.142 2
Lo Low (pH 4.5-6) 1.99 7.02 -45.79 1 4 1 53 318.15 2

Activity (Go SEA)

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