UCSF

ZINC14437227

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2008 27 Yes

CAS Number: [50461-86-4]

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) 3.21 4.33 -14.07 2 8 0 108 374.345 5

Activity (Go SEA)

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