UCSF

ZINC29810278

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2009 20 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) 3.26 5.91 -15.02 0 4 0 47 283.356 1
Lo Low (pH 4.5-6) 3.26 7.31 -30.45 1 4 1 49 284.364 1
Lo Low (pH 4.5-6) 3.26 6.36 -31.99 1 4 1 49 284.364 1

Activity (Go SEA)

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