UCSF

ZINC08733398

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 17 No

Other Names:

MFCD08741856

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) 2.29 5.02 -13.77 0 4 0 63 224.219 3
Lo Low (pH 4.5-6) 2.29 5.69 -44.35 1 4 1 64 225.227 3

Activity (Go SEA)

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