UCSF

ZINC37828593

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

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) 3.50 7.22 -6.09 0 3 0 24 379.751 4
Lo Low (pH 4.5-6) 3.50 9.43 -47.14 1 3 1 25 380.759 4

Activity (Go SEA)

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