UCSF

ZINC39956596

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 20 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) 1.18 6.81 -9.08 1 7 0 107 269.264 5
Lo Low (pH 4.5-6) 1.18 7.17 -40.64 2 7 1 109 270.272 5

Activity (Go SEA)

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