UCSF

ZINC39289814

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 No

CAS Number: 3186-72-9

Other Names:

MFCD00201073

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) 8.61 14.57 -3.5 0 1 0 17 426.729 1

Activity (Go SEA)

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