UCSF

ZINC05420989

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 14 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) 1.14 3.87 -8.92 0 4 0 46 189.218 2
Lo Low (pH 4.5-6) 1.14 4.15 -34.11 1 4 1 47 190.226 2

Activity (Go SEA)

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