UCSF

ZINC34071989

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 26 No

CAS Number: 96036-03-2

Other Names:

MERREM

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) -0.85 1.15 -90.12 3 8 0 118 383.47 5
Hi High (pH 8-9.5) -0.85 -0.1 -70.64 2 8 -1 113 382.462 5

Vendor Notes

Note Type Comments Provided By
Therapy antibacterial SMDC Pharmakon

Activity (Go SEA)

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