UCSF

ZINC09915722

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2007 26 Yes

CAS Numbers: 131-48-6 , [131-48-6]

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) -2.13 -7.87 -49.12 6 10 -1 179 378.398 5

Activity (Go SEA)

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