UCSF

ZINC04214631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 20 Yes

CAS Numbers: [68779-67-9] , [74709-54-9]

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) 2.67 -2.51 -40.25 2 3 1 29 269.368 0

Activity (Go SEA)

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