UCSF

ZINC26498547

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 38 Yes

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) 4.37 14.02 -91.56 4 7 2 80 517.718 8
Lo Low (pH 4.5-6) 4.37 14.4 -142.98 5 7 3 81 518.726 8

Activity (Go SEA)

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