UCSF

ZINC22055629

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 19 Yes

CAS Number: [72826-63-2]

Other Names:

MFCD09952174

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) 3.36 6.65 -10.49 0 4 0 45 266.337 0

Activity (Go SEA)

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