UCSF

ZINC05820814

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 25 Yes

CAS Number: 330796-57-1

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) 4.55 -0.67 -48.37 1 4 -1 69 349.491 12

Activity (Go SEA)

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