UCSF

ZINC00663412

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 Yes

Other Names:

MFCD03302907

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) 5.58 -0.36 -9.01 3 5 0 77 471.504 6
Lo Low (pH 4.5-6) 5.58 -0.24 -36.07 4 5 1 78 472.512 6

Activity (Go SEA)

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