UCSF

ZINC04565435

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 22 No

Other Names:

MFCD00245332

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) 1.55 1.93 -9.8 3 6 0 91 295.346 2
Lo Low (pH 4.5-6) 1.55 3.05 -52.8 4 6 1 93 296.354 2

Activity (Go SEA)

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