UCSF

ZINC38950729

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2010 14 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) 2.09 5.95 -6.75 0 3 0 39 193.246 4
Lo Low (pH 4.5-6) 2.09 6.37 -31.75 1 3 1 40 194.254 4

Activity (Go SEA)

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