UCSF

ZINC04196454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 18 Yes

CAS Numbers: 519-02-8 , [519-02-8]

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) 1.98 7.46 -42.25 1 3 1 25 249.378 0

Activity (Go SEA)

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