UCSF

ZINC05022806

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 15 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) -0.04 3.83 -7.02 1 4 0 59 219.269 1
Lo Low (pH 4.5-6) -0.04 4.11 -43.94 2 4 1 60 220.277 1

Activity (Go SEA)

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