UCSF

ZINC05854633

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 30 Yes

CAS Numbers: 19275-44-6 , [19275-44-6]

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) 6.11 8.07 -17.56 2 6 0 89 410.466 3
Hi High (pH 8-9.5) 6.11 8.86 -56.89 1 6 -1 92 409.458 3

Activity (Go SEA)

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