UCSF

ZINC42894012

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 16 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) 3.20 2.01 -41.82 0 4 -1 52 231.256 1
Lo Low (pH 4.5-6) 2.47 2.56 -9.03 1 4 0 55 232.264 1

Activity (Go SEA)

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