UCSF

ZINC39261982

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 13 Yes

CAS Numbers: 13429-83-9 , 39637-74-6 , 67111-66-4 , 7492-41-3

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) 2.61 6.82 -48.65 0 2 -1 40 181.255 1
Lo Low (pH 4.5-6) 2.61 4.87 -4.39 1 2 0 37 182.263 1

Activity (Go SEA)

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