UCSF

ZINC04941095

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 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) 2.87 3.22 -11.81 1 6 0 81 340.408 5
Lo Low (pH 4.5-6) 2.87 3.7 -45.99 2 6 1 82 341.416 5

Activity (Go SEA)

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