UCSF

ZINC66377805

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2011 15 Yes

CAS Number: 74685-42-0

Other Names:

MFCD06797130

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) 4.72 9.89 -3.7 0 0 0 0 194.277 2

Vendor Notes

Note Type Comments Provided By
MP 33 TCI

Activity (Go SEA)

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

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