UCSF

ZINC04592496

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 26 No

Other Names:

MFCD02764491

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) 2.84 2.91 -9.97 4 6 0 108 344.374 2
Lo Low (pH 4.5-6) 2.84 3.17 -59.74 5 6 1 110 345.382 2

Activity (Go SEA)

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