UCSF

ZINC37858126

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 30 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) 3.76 8.02 -9.32 0 5 0 56 422.843 3
Lo Low (pH 4.5-6) 3.76 10.87 -41.02 1 5 1 57 423.851 3

Activity (Go SEA)

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