UCSF

ZINC20232187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 35 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) 4.03 12.39 -73.4 1 9 0 120 501.967 11
Lo Low (pH 4.5-6) 4.03 11.57 -61.13 2 9 1 117 502.975 11

Activity (Go SEA)

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