UCSF

ZINC03861788

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 34 Yes

CAS Numbers: 53-79-2 , 58-58-2

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) -0.73 0.95 -54.8 6 12 1 163 472.526 8
Mid Mid (pH 6-8) -0.73 0.66 -13.59 5 12 0 161 471.518 8

Vendor Notes

Note Type Comments Provided By
Mp [°C] 168 - 178 Acros Organics
biological_use Antibiotic IBScreen Bioactives IBScreen Bioactives
biological_use Cytostatic IBScreen Bioactives
H phrase H302: Harmful if swallowed Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
mechanism Protein synthesis inhibitor IBScreen Bioactives
R phrase R22: Harmful if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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