UCSF

ZINC20270835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 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) -0.64 1 -8.25 0 5 0 50 212.249 2
Lo Low (pH 4.5-6) -0.64 3.22 -44.64 1 5 1 51 213.257 2

Activity (Go SEA)

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