UCSF

ZINC04213542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 14 Yes

CAS Numbers: 42116-77-8 , 53361-24-3

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) 0.99 -2.61 -27.57 2 3 1 29 188.254 1

Activity (Go SEA)

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