UCSF

ZINC05529991

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 22 No

CAS Number: 72-63-9

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) 3.67 0.16 -8.46 1 2 0 37 300.442 0

Vendor Notes

Note Type Comments Provided By
MP 164 TCI

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.