UCSF

ZINC05765115

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 30 Yes

CAS Numbers: 148-03-8 , 16698-35-4

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) 9.67 2.65 -4.47 1 2 0 29 416.69 12

Activity (Go SEA)

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