UCSF

ZINC20033321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 29 No

Other Names:

MFCD02946878

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) 4.28 6.86 -9.26 3 6 0 97 386.455 5
Lo Low (pH 4.5-6) 4.28 7.09 -56.32 4 6 1 99 387.463 5

Activity (Go SEA)

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