UCSF

ZINC35622800

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 Yes

CAS Number: 4016-63-1

Other Names:

MFCD00037985

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) -1.89 -8.17 -19.89 5 10 0 153 362.14 2
Mid Mid (pH 6-8) -1.89 -8.15 -51.47 4 10 -1 151 361.132 2

Vendor Notes

Note Type Comments Provided By
MP 222°(dec.) Oakwood Chemical
Purity 97% Fluorochem

Activity (Go SEA)

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