UCSF

ZINC26891954

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 35 Yes

CAS Numbers: 2390-63-8 , [2390-63-8]

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) 4.24 18.16 -11.85 0 5 0 44 471.621 10
Lo Low (pH 4.5-6) 3.37 17.02 -38.06 1 5 0 47 472.629 9
Lo Low (pH 4.5-6) 4.24 18.26 -37.05 1 5 0 45 472.629 10

Activity (Go SEA)

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