UCSF

ZINC43472224

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 Yes

CAS Numbers: 190060-72-1 , 478014-34-5 , [478014-34-5]

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) 3.16 5.73 -5.73 2 2 0 35 217.243 3

Activity (Go SEA)

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