UCSF

ZINC00000731

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 22 Yes

CAS Number: 57479-88-6

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) 0.78 1.98 -47.34 4 7 1 103 328.414 5

Activity (Go SEA)

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