UCSF

ZINC12153719

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2008 27 Yes

CAS Numbers: 31008-19-2 , [31008-19-2]

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) 3.45 -0.78 -11.46 0 6 0 55 370.401 4

Activity (Go SEA)

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