UCSF

ZINC14806300

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 22 No

Other Names:

MFCD03703495

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) 0.08 1.97 -31.39 4 10 0 138 345.277 1
Lo Low (pH 4.5-6) 0.08 2.23 -63.94 5 10 1 139 346.285 1
Lo Low (pH 4.5-6) 0.08 -2.15 -61.82 5 10 1 139 346.285 1

Activity (Go SEA)

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