UCSF

ZINC42462177

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.11 1.3 -6.75 3 6 0 84 250.302 2
Lo Low (pH 4.5-6) 0.11 1.75 -34.93 4 6 1 85 251.31 2

Activity (Go SEA)

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