UCSF

ZINC03906485

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 25 Yes

Other Names:

MFCD03039093

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) 4.44 12.33 -12.85 1 4 0 46 327.387 3
Lo Low (pH 4.5-6) 4.44 12.6 -26.66 2 4 1 48 328.395 3

Activity (Go SEA)

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