UCSF

ZINC18204413

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 10 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 2.56 -32.9 0 5 -1 86 141.106 3
Lo Low (pH 4.5-6) -0.04 1.26 -9.52 1 5 0 83 142.114 3

Activity (Go SEA)

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