UCSF

ZINC19366392

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 30 No

Other Names:

MFCD06015903

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) 1.87 6.85 -82.7 2 6 0 80 409.461 6
Lo Low (pH 4.5-6) 1.87 6.03 -54.14 3 6 1 77 410.469 6

Activity (Go SEA)

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