UCSF

ZINC04081860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 21 Yes

CAS Numbers: 6271-21-2 , [6271-21-2]

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) 0.72 -4.42 -41.08 3 5 1 63 290.339 0

Activity (Go SEA)

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