UCSF

ZINC20362279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 21 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) 4.00 8.09 -53.77 2 2 1 26 300.275 6
Hi High (pH 8-9.5) 4.00 6.68 -4.57 1 2 0 21 299.267 6

Activity (Go SEA)

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