UCSF

ZINC39233816

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 15 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) 3.46 6.78 -7.46 2 2 0 31 214.293 0
Lo Low (pH 4.5-6) 3.46 6.63 -44.08 3 2 1 33 215.301 0

Activity (Go SEA)

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