UCSF

ZINC05199211

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 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) 3.07 5.11 -11.26 1 4 0 51 270.332 4
Lo Low (pH 4.5-6) 3.07 5.83 -37.48 2 4 1 52 271.34 4

Activity (Go SEA)

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