UCSF

ZINC20360297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 16 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) 2.23 7.79 -40.07 2 2 1 22 219.283 4
Hi High (pH 8-9.5) 2.23 6.34 -5.68 1 2 0 17 218.275 4

Activity (Go SEA)

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