UCSF

ZINC05818613

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 26 No

Other Names:

MFCD03341257

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) 3.97 5.98 -7.75 3 5 0 88 362.82 2
Lo Low (pH 4.5-6) 3.97 6.21 -54.82 4 5 1 89 363.828 2

Activity (Go SEA)

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