UCSF

ZINC04525549

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 21 Yes

Other Names:

MFCD02604052

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) 3.78 7.8 -11.6 2 3 0 41 298.411 1
Lo Low (pH 4.5-6) 3.85 6.12 -38.48 3 3 1 46 299.419 1

Activity (Go SEA)

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