UCSF

ZINC04962056

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 24 Yes

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) 3.03 8.42 -44.07 0 5 -1 64 324.356 5
Lo Low (pH 4.5-6) 3.03 7.37 -23.62 1 5 0 61 325.364 5

Activity (Go SEA)

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