UCSF

ZINC05074854

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 25 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) 2.11 3.98 -10.12 3 6 0 101 329.363 2
Lo Low (pH 4.5-6) 2.11 4.41 -53.27 4 6 1 102 330.371 2

Activity (Go SEA)

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