UCSF

ZINC05223934

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 31 No

CAS Number: 21967-41-9

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) 0.67 -4.49 -14.61 6 10 0 170 432.381 4
Hi High (pH 8-9.5) 0.67 -3.43 -62.62 5 10 -1 173 431.373 4

Activity (Go SEA)

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