UCSF

ZINC39299448

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 3.19 9.01 -6.28 0 2 0 20 231.339 4
Lo Low (pH 4.5-6) 3.19 9.64 -34.34 1 2 1 22 232.347 4

Activity (Go SEA)

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