UCSF

ZINC04265829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 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) 3.46 10.01 -12.18 0 5 0 55 316.364 4
Lo Low (pH 4.5-6) 3.46 10.36 -28.37 1 5 1 56 317.372 4

Activity (Go SEA)

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