UCSF

ZINC20259168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 24 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) 1.77 8.2 -14.97 1 5 0 47 343.452 8
Lo Low (pH 4.5-6) 1.77 8.63 -53.5 2 5 1 48 344.46 8

Activity (Go SEA)

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