UCSF

ZINC04705580

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 20 No

CAS Number: 122-69-0

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) 4.88 2.94 -7.74 0 2 0 26 264.324 6

Activity (Go SEA)

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