UCSF

ZINC05336937

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 17 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) 2.45 7.7 -10.13 0 2 0 30 221.259 1
Lo Low (pH 4.5-6) 2.45 8.15 -45.4 1 2 1 31 222.267 1

Activity (Go SEA)

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