UCSF

ZINC40013675

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 13 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) 0.93 3.02 -37.34 3 3 1 48 199.299 4
Hi High (pH 8-9.5) 0.93 0.77 -9.64 2 3 0 46 198.291 4

Activity (Go SEA)

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