UCSF

ZINC04123225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 23 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) 5.52 1.03 -6.89 0 2 0 36 360.935 5
Lo Low (pH 4.5-6) 5.52 1.22 -32.84 1 2 1 37 361.943 5

Activity (Go SEA)

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