UCSF

ZINC03830707

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 25 Yes

CAS Numbers: 177020-26-7 , 38562-01-5

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) 3.05 -4.22 -52.08 3 5 -1 100 353.479 12

Activity (Go SEA)

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