UCSF

ZINC00000738

Substance Information

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

CAS Numbers: 38241-39-3 , 39832-48-9

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) 0.86 -5.11 -39.79 3 4 1 58 217.314 6

Activity (Go SEA)

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