UCSF

ZINC71617851

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 15 Yes

CAS Number: 4714-24-3

Other Names:

MFCD00155020

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) 5.30 9.62 -2.81 0 0 0 0 259.146 2

Vendor Notes

Note Type Comments Provided By
MP 140 TCI

Activity (Go SEA)

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

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